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89009-73-4 | 1H-1,4-Diazepine-1-propanamide, N-ethylhexahydro-
CAS No: 89009-73-4 Catalog No: AG0044P1 MDL No:
Product Description
Catalog Number:
AG0044P1
Chemical Name:
1H-1,4-Diazepine-1-propanamide, N-ethylhexahydro-
CAS Number:
89009-73-4
Molecular Formula:
C10H21N3O
Molecular Weight:
199.2932
IUPAC Name:
3-(1,4-diazepan-1-yl)-N-ethylpropanamide
InChI:
InChI=1S/C10H21N3O/c1-2-12-10(14)4-8-13-7-3-5-11-6-9-13/h11H,2-9H2,1H3,(H,12,14)
InChI Key:
JYIMMBNLDXOGDI-UHFFFAOYSA-N
SMILES:
CCNC(=O)CCN1CCNCCC1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.168g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.298g/mol
Monoisotopic Mass:
199.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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