Basic information
- CAS
17966-65-3- Standard SMILES
CC(NC(=O)Cc1ccccc1)C(=O)O- InChIKey
FDWFFCURSPACFQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
Overview
Phenylacetylalanine is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- N-(2-Phenylacetyl)alanine
- IUPAC
- 2-[(2-phenylacetyl)amino]propanoic acid
- English name
- N-(2-Phenylacetyl)alanine
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
N-(2-PHENYLACETYL)ALANINE17966-65-32-[(2-phenylacetyl)amino]propanoic acidIFLab1_000870N-(Phenylacetyl)alanineN-(Phenylacetyl)alanine #Oprea1_818576MLS002206393SCHEMBL2177223CHEMBL1593059CHEBI:232959FDWFFCURSPACFQ-UHFFFAOYSA-N
Show more names
HMS1414H12HMS2222H05HMS3350G052-(2-phenylacetylamino)propanoic acidAKOS000155702AKOS016322712SMR0012952102-(Phenylacetamido)propionic acid, (dl)-
Database identifiers
- CAS
17966-65-3- PubChem CID
- 564251
- ChEMBL
CHEMBL1593059- ChEBI
CHEBI:232959- EC Number
- 109-706-4
- Nikkaji
- J2.610.448C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 150.5 · 150.5-151 °C
- Boiling point
- 467.7 · 467.7±38.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 3.58 · 3.58±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
Related reactions
12 records
Compound notes
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