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3-[(2-Cyanoethyl)amino]benzoic acid
[CAS# 91818-31-4]

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Identification
Name 3-[(2-Cyanoethyl)amino]benzoic acid
Synonyms 3-((2-cyanoethyl)amino)benzoic acid
Molecular Structure CAS#: 91818-31-4, 3-[(2-Cyanoethyl)amino]benzoic acid
Molecular Formula C10H10N2O2
Molecular Weight 190.20
CAS Registry Number 91818-31-4
SMILES OC(=O)c1cc(NCCC#N)ccc1
InChI 1S/C10H10N2O2/c11-5-2-6-12-9-4-1-3-8(7-9)10(13)14/h1,3-4,7,12H,2,6H2,(H,13,14)
InChIKey USASGTPWEZCRDD-UHFFFAOYSA-N
Properties
Density 1.287g/cm3 (Cal.)
Boiling point 474.265°C at 760 mmHg (Cal.)
Flash point 240.627°C (Cal.)
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