1,2,3,4-Tetrahydroisoquinoline 1,2,3,4-四氢异喹啉
CAS 91-21-4 MFCD00006896
化学结构图
SMILES: c1ccc2c(c1)CCNC2
化学属性
| Mol. Formula | C9H11N |
|---|---|
| Mol. Weight | 133.19 |
| Density | 1.064 |
| Refractive index | 1.5680 to 1.5710 |
| Flash Point | 99°C |
| TSCA | Yes |
| Boiling Point | 232-233°C at 760 mmHg |
| Melting Point | −30°C |
| Stability | 对空气敏感 |
| pH | :A |
别名和识别编码
| Chemical Name | 1,2,3,4-Tetrahydroisoquinoline |
|---|---|
| CAS Number | 91-21-4 |
| Alfabeta Name | TETRAHYDROISOQUINOLINE 1234-,,, |
| MDL Number | MFCD00006896 |
| EC Number | 202-050-0 |
| Beilstein Registry Number | 116156 |
| Synonym | 1,2,3,4-Tetrahydroisoquinoline {LY} 1,2,3,4-Tetrahydroisoquinoline {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} |
| PubChem Substance ID | 87577415 |
| Reaxys-RN | 116156 |
| Chemical Name Translation | 1,2,3,4-四氢异喹啉 |
| Wiswesser Line Notation | T66 CMT&J |
| LabNetwork Molecule ID | LN00174732 |
| InChI | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 |
| Canonical SMILES | C12=CC=CC=C1CNCC2 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoquinolines
- {SNA} Bioactive Small Molecules, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoquinolines, T, 细胞生物学
- {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 10ring; 1fragment
- {SNA} Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Isoquinolines, T
相关文献及参考
- Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
- Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource:
安全信息
GHS Symbol
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 240 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - central sympatholytic
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme
Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948
Volume(issue)/page/year: -,244,1948其他信息
- Alfa Aesar:1，2，3，4-四氢异喹啉,97% 1,2,3,4-Tetrahydroisoquinoline, 97%(91-21-4)
- 上游原料:乙醇 --> 氢氧化钠 --> 甲醇 --> 乙醚 --> 乙酸 --> 三氯甲烷 --> 硫酸钠 --> 碳酸氢钠 --> 三氟乙酸 --> 甲酸乙酯 --> 多聚甲醛 --> 2-苯乙胺
- Sigma Aldrich:91-21-4(sigmaaldrich)
- 下游产品:6-氨基-2-N-BOC-1,2,3,4-四氢-异喹啉
- TCI Shanghai:1,2,3,4,-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline,>;95.0%(GC)(91-21-4)
- MOL 文件:91-21-4.mol
- Hazard Note:Irritant
- 四氢异喹啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1676 1,2,3,4,-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline 25G 457元 2014/06/02 T1676 1,2,3,4,-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline 500G 4010元 2010/06/21 138201000 四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline 95% 100 GR 1305元
- 图谱信息:四氢异喹啉(91-21-4)核磁图( 13 CNMR) 四氢异喹啉(91-21-4)核磁图( 1 HNMR) 四氢异喹啉(91-21-4)红外图谱(IR1) 四氢异喹啉(91-21-4)质谱(MS)
- Acros Organics:1,2,3,4-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline, 95%(91-21-4)
