document.write('
815650-83-0
1-(3-METHYLBENZOYL)-1,4-DIAZEPANE
Name
1-(3-METHYLBENZOYL)-1,4-DIAZEPANE
Formula
C13 H18 N2 O
MolWeight
218.298
1Identification
【Name】
1-(3-METHYLBENZOYL)-1,4-DIAZEPANE
【CAS】
【MDL】
MFCD05879206
【English Synonyms】
【Formula】
C13 H18 N2 O
【MolWeight】
218.298
【Inchi】
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】
InChIKey=IBXDPKVPNFWIDO-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)C(=O)N2CCCNCC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-METHYLBENZOYL)-1,4-DIAZEPANE.cml
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