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1016873-45-2 | Benzamide, N-(3-aminopropyl)-3-chloro-
CAS No: 1016873-45-2 Catalog No: AG00057F MDL No:
Product Description
Catalog Number:
AG00057F
Chemical Name:
Benzamide, N-(3-aminopropyl)-3-chloro-
CAS Number:
1016873-45-2
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
IUPAC Name:
N-(3-aminopropyl)-3-chlorobenzamide
InChI:
InChI=1S/C10H13ClN2O/c11-9-4-1-3-8(7-9)10(14)13-6-2-5-12/h1,3-4,7H,2,5-6,12H2,(H,13,14)
InChI Key:
PJQMNJDIFOPBGB-UHFFFAOYSA-N
SMILES:
NCCCNC(=O)c1cccc(c1)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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