D,L-N-(Phenylacetyl)-alanine methyl ester
Basic information
- CAS
64562-94-3- Standard SMILES
COC(=O)C(C)NC(=O)Cc1ccccc1- InChIKey
DLCNTEDUKYKOIF-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- D,L-N-(Phenylacetyl)-alanine methyl ester
- IUPAC
- methyl 2-[(2-phenylacetyl)amino]propanoate
Names & synonyms
D,L-N-(PHENYLACETYL)-ALANINE METHYL ESTERRefChem:581481654-597-364562-94-3methyl 2-[(2-phenylacetyl)amino]propanoatemethyl 2-(2-phenylacetamido)propanoateNSC163389Methyl N-(phenylacetyl)alaninateSCHEMBL11216442DTXSID20303904NSC75883NSC-75883
Show more names
AKOS006040358NSC-163389
Database identifiers
- CAS
64562-94-3- PubChem CID
- 294582
- DTXSID
DTXSID20303904- EC Number
- 654-597-3
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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