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89009-80-3 | 1H-1,4-Diazepine-1-propanamide, N-hexylhexahydro-
CAS No: 89009-80-3 Catalog No: AG0044UU MDL No:
Product Description
Catalog Number:
AG0044UU
Chemical Name:
1H-1,4-Diazepine-1-propanamide, N-hexylhexahydro-
CAS Number:
89009-80-3
Molecular Formula:
C14H29N3O
Molecular Weight:
255.3996
IUPAC Name:
3-(1,4-diazepan-1-yl)-N-hexylpropanamide
InChI:
InChI=1S/C14H29N3O/c1-2-3-4-5-9-16-14(18)7-12-17-11-6-8-15-10-13-17/h15H,2-13H2,1H3,(H,16,18)
InChI Key:
QWEPGHIMECUEPP-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)CCN1CCNCCC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.231g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.406g/mol
Monoisotopic Mass:
255.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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