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1,4-Diazepan-1-yl(3-methylphenyl)methanone
[CAS# 815650-83-0]

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Identification
Name 1,4-Diazepan-1-yl(3-methylphenyl)methanone
Synonyms (1,4-diazepan-1-yl)(m-tolyl)methanone; 1-[(3-methylphenyl)carbonyl]-1,4-diazepane; MFCD05879206
Molecular Structure CAS#: 815650-83-0, 1,4-Diazepan-1-yl(3-methylphenyl)methanone
Molecular Formula C13H18N2O
Molecular Weight 218.29
CAS Registry Number 815650-83-0
SMILES O=C(N1CCNCCC1)c2cccc(C)c2
InChI 1S/C13H18N2O/c1-11-4-2-5-12(10-11)13(16)15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9H2,1H3
InChIKey IBXDPKVPNFWIDO-UHFFFAOYSA-N
Properties
Density 1.067g/cm3 (Cal.)
Boiling point 384.643°C at 760 mmHg (Cal.)
Flash point 186.426°C (Cal.)
Refractive index 1.543 (Cal.)
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