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771429-87-9 | Benzamide,5-amino-2-(butylamino)-N-cyclopropyl-
CAS No: 771429-87-9 Catalog No: AG005DV0 MDL No:
Product Description
Catalog Number:
AG005DV0
Chemical Name:
Benzamide,5-amino-2-(butylamino)-N-cyclopropyl-
CAS Number:
771429-87-9
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
IUPAC Name:
5-amino-2-(butylamino)-N-cyclopropylbenzamide
InChI:
InChI=1S/C14H21N3O/c1-2-3-8-16-13-7-4-10(15)9-12(13)14(18)17-11-5-6-11/h4,7,9,11,16H,2-3,5-6,8,15H2,1H3,(H,17,18)
InChI Key:
PSVIRZWIWPBCSM-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1C(=O)NC1CC1)N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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