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89009-77-8 | 1H-1,4-Diazepine-1-propanamide, hexahydro-N-(2-methylpropyl)-
CAS No: 89009-77-8 Catalog No: AG0044OY MDL No:
Product Description
Catalog Number:
AG0044OY
Chemical Name:
1H-1,4-Diazepine-1-propanamide, hexahydro-N-(2-methylpropyl)-
CAS Number:
89009-77-8
Molecular Formula:
C12H25N3O
Molecular Weight:
227.3464
IUPAC Name:
3-(1,4-diazepan-1-yl)-N-(2-methylpropyl)propanamide
InChI:
InChI=1S/C12H25N3O/c1-11(2)10-14-12(16)4-8-15-7-3-5-13-6-9-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChI Key:
PHLAZXMPQFLVLM-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)CCN1CCNCCC1)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.2g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.352g/mol
Monoisotopic Mass:
227.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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