Home Other Building Blocks 3-(2-methylpropyl)-1,4-diazepan-2-one

3-(2-methylpropyl)-1,4-diazepan-2-one

CAS No.:
78551-31-2
Catalog Number:
AG01AM0G
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
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Product Description
Catalog Number:
AG01AM0G
Chemical Name:
3-(2-methylpropyl)-1,4-diazepan-2-one
CAS Number:
78551-31-2
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
MDL Number:
MFCD20683516
IUPAC Name:
3-(2-methylpropyl)-1,4-diazepan-2-one
InChI:
InChI=1S/C9H18N2O/c1-7(2)6-8-9(12)11-5-3-4-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChI Key:
NISDQXINCGKUDS-UHFFFAOYSA-N
SMILES:
CC(CC1NCCCNC1=O)C
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties