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89634-64-0 | 1,2-Benzenediamine, 4-(3-pyridinylmethyl)-
CAS No: 89634-64-0 Catalog No: AG003WJ0 MDL No:
Product Description
Catalog Number:
AG003WJ0
Chemical Name:
1,2-Benzenediamine, 4-(3-pyridinylmethyl)-
CAS Number:
89634-64-0
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
InChI:
InChI=1S/C12H13N3/c13-11-4-3-9(7-12(11)14)6-10-2-1-5-15-8-10/h1-5,7-8H,6,13-14H2
InChI Key:
ATAHVSGFRKXTFY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1N)Cc1cccnc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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