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89009-76-7 | 1H-1,4-Diazepine-1-propanamide, N-butylhexahydro-
CAS No: 89009-76-7 Catalog No: AG0044V2 MDL No:
Product Description
Catalog Number:
AG0044V2
Chemical Name:
1H-1,4-Diazepine-1-propanamide, N-butylhexahydro-
CAS Number:
89009-76-7
Molecular Formula:
C12H25N3O
Molecular Weight:
227.3464
IUPAC Name:
N-butyl-3-(1,4-diazepan-1-yl)propanamide
InChI:
InChI=1S/C12H25N3O/c1-2-3-7-14-12(16)5-10-15-9-4-6-13-8-11-15/h13H,2-11H2,1H3,(H,14,16)
InChI Key:
UYOHLQUJNRVORM-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)CCN1CCNCCC1
Properties
Complexity:
197
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:
6
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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