Basic information
- CAS
36724-78-4- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)O)c1cccnc1- InChIKey
KSZPRUJKMRILRZ-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Names & identifiers
- Preferred name
- 3-Phenyl-2-((pyridin-3-yl)formamido)propanoic acid
- IUPAC
- 3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid
Names & synonyms
3-phenyl-2-[(pyridin-3-yl)formamido]propanoic acid3-Phenyl-2-((pyridin-3-yl)formamido)propanoic acidRefChem:504845107-644-236724-78-43-phenyl-2-(pyridin-3-ylformamido)propanoic acid3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid2-(Nicotinamido)-3-phenylpropanoic acidNSC351308SCHEMBL2229201DTXSID00319846KSZPRUJKMRILRZ-UHFFFAOYSA-N
Show more names
LBA72478N-(Pyridine-3-carbonyl)phenylalanineAKOS000128185AKOS0163382232-(Nicotinamido)-3-phenylpropanoicacidNSC 351308NSC-351308NCGC01446001-01
Database identifiers
- CAS
36724-78-4- PubChem CID
- 336554
- DTXSID
DTXSID00319846- EC Number
- 107-644-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
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
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%)
Related reactions
1 records
Compound notes
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