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85817-23-8 | N-(ISOPROPYL)PIPERAZINE-2-CARBOXAMIDE
CAS No: 85817-23-8 Catalog No: AG004OD7 MDL No:
Product Description
Catalog Number:
AG004OD7
Chemical Name:
N-(ISOPROPYL)PIPERAZINE-2-CARBOXAMIDE
CAS Number:
85817-23-8
Molecular Formula:
C8H17N3O
Molecular Weight:
171.2401
IUPAC Name:
N-propan-2-ylpiperazine-2-carboxamide
InChI:
InChI=1S/C8H17N3O/c1-6(2)11-8(12)7-5-9-3-4-10-7/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChI Key:
BQPORFHFPWJFIX-UHFFFAOYSA-N
SMILES:
CC(NC(=O)C1NCCNC1)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.244g/mol
Monoisotopic Mass:
171.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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