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1,4-Diazepan-1-yl(4-methylphenyl)methanone
[CAS# 815650-96-5]

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Identification
Name 1,4-Diazepan-1-yl(4-methylphenyl)methanone
Synonyms (1,4-diazepan-1-yl)(p-tolyl)methanone; 1-[(4-methylphenyl)carbonyl]-1,4-diazepane
Molecular Structure CAS#: 815650-96-5, 1,4-Diazepan-1-yl(4-methylphenyl)methanone
Molecular Formula C13H18N2O
Molecular Weight 218.29
CAS Registry Number 815650-96-5
SMILES O=C(N1CCNCCC1)c2ccc(C)cc2
InChI 1S/C13H18N2O/c1-11-3-5-12(6-4-11)13(16)15-9-2-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
InChIKey RHXZEDYKRDPAOY-UHFFFAOYSA-N
Properties
Density 1.067g/cm3 (Cal.)
Boiling point 383.093°C at 760 mmHg (Cal.)
Flash point 185.488°C (Cal.)
Refractive index 1.543 (Cal.)
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