Basic information
- CAS
150025-93-7- Standard SMILES
C[C@H](N)c1ccc(Cl)c(Cl)c1- InChIKey
UJUFOUVXOUYYRG-YFKPBYRVSA-N- Molecular formula
- C8H9Cl2N
- Average molar mass
- 190.07 g/mol
- Monoisotopic mass
- 189.01120465
Names & identifiers
- Preferred name
- (S)-1-(3,4-Dichlorophenyl)ethanamine
- IUPAC
- (1S)-1-(3,4-dichlorophenyl)ethanamine
- English name
- Benzenemethanamine, 3,4-dichloro-a-methyl-, (S)-
- Molecular formula
- C8H9Cl2N
- Molecular weight
- 190.07
Names & synonyms
150025-93-7(S)-1-(3,4-Dichlorophenyl)ethanamine(1S)-1-(3,4-dichlorophenyl)ethanamine(1S)-1-(3,4-dichlorophenyl)ethan-1-amineMFCD07772667CHEMBL144333Benzenemethanamine, 3,4-dichloro-a-methyl-, (S)-Benzenemethanamine, 3,4-dichloro-alpha-methyl-, (alphaS)-(S)-1-(3,4-dichlorophenyl)ethan-1-amineSCHEMBL5862322DTXSID40355187UJUFOUVXOUYYRG-YFKPBYRVSA-N
Show more names
(1R)-1-(3,4-dichlorophenyl)ethylaMine(S)-1-(3,4-Dichlorophenyl)ethanamine - [D91372]Benzenemethanamine,3,4-dichloro-a-methyl-,(aS)-Benzenemethanamine, 3,4-dichloro-α-methyl-, (αS)-Benzenemethanamine, 3,4-dichloro-.alpha.-methyl-, (.alpha.S)-
BDBM50217344(S)-1-(34-Dichlorophenyl)ethanamine1(S)-(3,4-dichlorophenyl)ethylamineAKOS010366658AS-68118SY111079CS-0000337EN300-53085
Database identifiers
- CAS
150025-93-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 257.107 · 257.107±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.514 · 8.514±0.10(predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers28 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
Related reactions
2 records
Compound notes
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