N-(4-Nitrobenzoyl)-β-alanine
CAS Registry Number®
59642-21-6
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CAS Name
N-(4-Nitrobenzoyl)-β-alanineMolecular Formula
C10H10N2O5Molecular Mass
238.20Cite this Page
N-(4-Nitrobenzoyl)-β-alanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=59642-21-6 (retrieved ) (CAS RN: 59642-21-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
160-161 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14)
InChIKey
InChIKey=PDTLZWITKYGYDN-UHFFFAOYSA-N
SMILES
C(NCCC(O)=O)(=O)C1=CC=C(N(=O)=O)C=C1
Canonical SMILES
O=C(O)CCNC(=O)C1=CC=C(C=C1)N(=O)=O
Other Names for this Substance
- β-Alanine, N-(4-nitrobenzoyl)-
- N-(4-Nitrobenzoyl)-β-alanine
- 3-[(4-Nitrophenyl)formamido]propanoic acid
