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13159-80-3 | 4-Pyridinamine, N-[(4-chlorophenyl)methyl]-
CAS No: 13159-80-3 Catalog No: AG000ZGQ MDL No:
Product Description
Catalog Number:
AG000ZGQ
Chemical Name:
4-Pyridinamine, N-[(4-chlorophenyl)methyl]-
CAS Number:
13159-80-3
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
IUPAC Name:
N-[(4-chlorophenyl)methyl]pyridin-4-amine
InChI:
InChI=1S/C12H11ClN2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-8H,9H2,(H,14,15)
InChI Key:
HIALJOTZJYQLCG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNc1ccncc1
EC Number:
236-098-9
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.684g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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