Basic information
- CAS
163837-32-9- Standard SMILES
N[C@@H](c1ccccc1)c1ccc(Cl)cc1- InChIKey
XAFODXGEQUOEKN-ZDUSSCGKSA-N- Molecular formula
- C13H12ClN
- Average molar mass
- 217.69 g/mol
- Monoisotopic mass
- 217.0658271
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(phenyl)methanamine, (S)-
- IUPAC
- (S)-(4-chlorophenyl)-phenylmethanamine
- English name
- (S)-p-Chlorophenyl-phenylMethanaMine
- Molecular formula
- C13H12ClN
- Molecular weight
- 217.7
Names & synonyms
163837-32-98YZ8Y33LRT(4-Chlorophenyl)(phenyl)methanamine, (S)-RefChem:1050417(S)-(4-Chlorophenyl)(phenyl)methanamine(S)-p-Chlorophenyl-phenylmethanamine(-)-4-CHLOROBENZHYDRYLAMINE(S)-(4-chlorophenyl)-phenylmethanamine(s)-4-chlorobenzhydrylamineMFCD09833431Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphaS)-(S)-alpha-(4-Chlorophenyl)benzylamine
Show more names
(S)-^a-(4-Chlorophenyl)benzylaMine, 98%Benzenemethanamine, 4-chloro-α-phenyl-, (αS)-
(S)-(4-chlorophenyl)-phenyl-methanamine(S)-4-Chlorophenyl-phenylmethanamine8-Phenylchroman-4-one(+)-4-ChlorobenzhydrylamineSCHEMBL588076XAFODXGEQUOEKN-ZDUSSCGKSA-NGS4128(+)-(4-chlorophenyl)phenylmethylamine
Database identifiers
- CAS
163837-32-9- PubChem CID
- 736032
- UNII
- 8YZ8Y33LRT
- Nikkaji
- J1.428.003K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 336.8 · 336.8±27.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Solid
- pka
- 8.08 · 8.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers15 total
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
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合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
1 records
Compound notes
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