Basic information
- CAS
69957-83-1- Standard SMILES
CCNCc1ccc(Cl)cc1- InChIKey
DWQGKMSNZGJKJS-UHFFFAOYSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
- Monoisotopic mass
- 169.06582706
Names & identifiers
- Preferred name
- N-Ethyl-4-chlorobenzylamine
- IUPAC
- N-[(4-chlorophenyl)methyl]ethanamine
- English name
- N-Ethyl-4-Chlorobenzylamine
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.65
Names & synonyms
N-ETHYL-4-CHLOROBENZYLAMINE69957-83-1N-(4-Chlorobenzyl)ethanamineN-[(4-chlorophenyl)methyl]ethanamineMFCD00045212(4-chlorobenzyl)ethylaminep-Chloro-N-ethylbenzylamine[(4-chlorophenyl)methyl](ethyl)amineBenzenemethanamine, 4-chloro-N-ethyl-(4-chloro-benzyl)-ethyl-amineSCHEMBL1800659SCHEMBL6321038
Show more names
(4-chlorobenzyl)ethylamine(SALTDATA: HCl)
SCHEMBL6342311SCHEMBL6561234N-(4-Chlorobenzyl)ethanamine #DTXSID50342306N-(4-chlorobenzyl)-N-ethylamine4-chloro-N-ethylbenzenemethanamineUCA95783STL036459
Database identifiers
- CAS
69957-83-1- PubChem CID
- 580651
- DTXSID
DTXSID50342306
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Applications
UsesN-Ethyl-4-chlorobenzylamine is used in preparation of heterocycles as angiotensin AT-2 receptor antagonists.
Suppliers38 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Related reactions
7 records
Compound notes
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