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815650-72-7
1-(2-METHYLBENZOYL)-1,4-DIAZEPANE
Name
1-(2-METHYLBENZOYL)-1,4-DIAZEPANE
Formula
C13 H18 N2 O
MolWeight
218.298
1Identification
【Name】
1-(2-METHYLBENZOYL)-1,4-DIAZEPANE
【CAS】
【MDL】
MFCD05879192
【English Synonyms】
【Formula】
C13 H18 N2 O
【MolWeight】
218.298
【Inchi】
InChI=1S/C13H18N2O/c1-11-5-2-3-6-12(11)13(16)15-9-4-7-14-8-10-15/h2-3,5-6,14H,4,7-10H2,1H3
【InChIKey】
InChIKey=GYPQIIGVRMDLPN-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1C(=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-(2-METHYLBENZOYL)-1,4-DIAZEPANE.cml
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