1-Amino-3-phenylpropan-2-ol

HCID 3758046

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 50411-26-2
Standard SMILES: NCC(O)Cc1ccccc1
InChIKey: JIIXMZQZEAAIJX-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 1-Amino-3-phenylpropan-2-ol
IUPAC: 1-amino-3-phenylpropan-2-ol
English name: 1-Amino-3-phenyl-propan-2-ol
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

1-amino-3-phenylpropan-2-olRefChem:429303817-030-250411-26-21-amino-3-phenyl-propan-2-ol3-Phenyl-2-hydroxypropylamine1-amino-3-phenyl-2-propanolMFCD03840182F2189-0678benzylethanolamin2-hydroxy-3-phenylpropylamineSCHEMBL194646

Show more names

Benzeneethanol, α-(aminomethyl)-Benzeneethanol, a-(aminomethyl)-1-amino-3-phenylpropane-2-alcohol

SCHEMBL5788062SCHEMBL9407376SCHEMBL27785063DTXSID00396016JIIXMZQZEAAIJX-UHFFFAOYSA-NSMSSF-0533752CS-D0131IFA52239

Database identifiers

CAS: 50411-26-2
PubChem CID: 3758046
DTXSID: DTXSID00396016
EC Number: 817-030-2
Nikkaji: J427.700G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 99.7

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H332-H335-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H332-H335-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P