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116818-74-7 | 1-Piperazinecarboxamide, 4-methyl-N-(phenylmethyl)-
CAS No: 116818-74-7 Catalog No: AG000D9K MDL No:MFCD03283227
Product Description
Catalog Number:
AG000D9K
Chemical Name:
1-Piperazinecarboxamide, 4-methyl-N-(phenylmethyl)-
CAS Number:
116818-74-7
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD03283227
IUPAC Name:
N-benzyl-4-methylpiperazine-1-carboxamide
InChI:
InChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)13(17)14-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,14,17)
InChI Key:
VVYSNDPTUQUFQP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)NCc1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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