Basic information
- CAS
17193-31-6- Standard SMILES
NC(=O)C(N)Cc1ccccc1- InChIKey
OBSIQMZKFXFYLV-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.094963
Names & identifiers
- Preferred name
- 2-Amino-3-phenylpropanamide
- IUPAC
- 2-amino-3-phenylpropanamide
- English name
- H-DL-Phe-NH2
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
2-Amino-3-phenylpropanamideRefChem:463955821-904-917193-31-6H-DL-Phe-NH2MFCD09948489H-Phe-NH2-Amino-3-phenyl-propanamideH-D-Phe-NH2-Amino-3-phenyl-propionamideSCHEMBL2443032-Amino-3-phenylpropanamide #
Show more names
DL-Phenylalanine amideBenzenepropanamide, α-amino-
CHEMBL268713Propanamide, 2-amino-3-phenylSCHEMBL3208566SCHEMBL3942790SAA19331BBL013314EBC-47250STK897840
Database identifiers
- CAS
17193-31-6、60058-39-1- PubChem CID
- 194097
- DTXSID
DTXSID70901095- ChEMBL
CHEMBL268713- EC Number
- 821-904-9
- Nikkaji
- J402.193B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- Boiling point
- 356.9 · 356.9±35.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 15.85 · 15.85±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
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, 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
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
10 records
Compound notes
Loading…