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3-(Phenylamino)-2-Cyclohexen-1-One
[CAS# 24706-50-1]

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Identification
Name 3-(Phenylamino)-2-Cyclohexen-1-One
Synonyms 3-(Phenylamino)-1-Cyclohex-2-Enone; Zinc00153611; St5406914
Molecular Structure CAS#: 24706-50-1, 3-(Phenylamino)-2-Cyclohexen-1-One
Molecular Formula C12H13NO
Molecular Weight 187.24
CAS Registry Number 24706-50-1
SMILES C2=C(NC1=CC(CCC1)=O)C=CC=C2
InChI 1S/C12H13NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2
InChIKey IVONJXTZXFTWNA-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 176-178°C (Expl.)
Boiling point 324.9±42.0°C at 760 mmHg (Cal.)
Flash point 135.6±28.0°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) V. Bertolasi, P. Gilli, V. Ferretti and G. Gilli. Intermolecular N-H...O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers, Acta Cryst. (1998). B54, 50-65 
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