Formula |
C11H11N3O3 |
IUPAC Name |
3-[(4-cyanophenyl)carbamoylamino]propanoic acid |
Molecular Mass |
233.223 g·mol−1 |
Heat of Formation |
-376.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.70 ± 1.08 D |
Volume |
270.49 Å 3 |
Surface Area |
262.33 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
-0.72 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[(4-cyanophenyl)carbamoylamino]propionic acid
- 3-[[[(4-cyanophenyl)amino]-oxomethyl]amino]propanoic acid
- bbv-031407
- beta-alanine, n-(((4-cyanophenyl)amino)carbonyl)-
- n-(4-cyanophenyl)-n'-(2-carboxyethyl)urea
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CAS Number(s) |
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InChIKey |
AWCDLPKQSGESKV-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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