(r)-3-Amino-3-(3-chlorophenyl)propan-1-ol
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Basic information
- CAS
1213949-37-1- Standard SMILES
N[C@H](CCO)c1cccc(Cl)c1- InChIKey
YQMOQQKIRFWPQL-SECBINFHSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.0607417
Names & identifiers
- Preferred name
- (r)-3-Amino-3-(3-chlorophenyl)propan-1-ol
- IUPAC
- (3R)-3-amino-3-(3-chlorophenyl)propan-1-ol
- English name
- (gammaR)-gamma-Amino-3-chlorobenzenepropanol
- Molecular formula
- C9H12ClNO
- Molecular weight
- 185.65
Names & synonyms
1213949-37-1(r)-3-(3-chlorophenyl)-beta-alaninol(r)-3-amino-3-(3-chlorophenyl)propan-1-ol(3r)-3-amino-3-(3-chlorophenyl)propan-1-olMFCD07784066(gammaR)-gamma-Amino-3-chlorobenzenepropanol(R)-g-Amino-3-chlorobenzenepropanol(r)-beta-(3-chlorophenyl)alaninol(R)-3-Amino-3-(3-chloro-phenyl)-propan-1-olDTXSID30426890(R)- -(3-Chlorophenyl)alaninolAKOS027250882
Show more names
(R)-3-(3-Chlorophenyl)-β-alaninol(3R)-3-Amino-3-(3-chlorophenyl)propanol(R)-3-Amino-3-(3-chlorobenzene)propanolBenzenepropanol, γ-amino-3-chloro-, (γR)-
AS-37274CS-0171115EN300-1164005
Database identifiers
- CAS
1213949-37-1- PubChem CID
- 7017294
- DTXSID
DTXSID30426890
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 327.907 · 327.907±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216
- storage temp.
- Store at Room Tem.
- pka
- 14.866 · 14.866±0.10(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H335-H227
- Precautionary statements
- 501 · P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331-H315-H319-H335-H227
- Precautionary statements
- P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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