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13159-78-9 | 3-Pyridinamine, N-[(4-chlorophenyl)methyl]-
CAS No: 13159-78-9 Catalog No: AG000ZGR MDL No:MFCD09026312
Product Description
Catalog Number:
AG000ZGR
Chemical Name:
3-Pyridinamine, N-[(4-chlorophenyl)methyl]-
CAS Number:
13159-78-9
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
MDL Number:
MFCD09026312
IUPAC Name:
N-[(4-chlorophenyl)methyl]pyridin-3-amine;dihydrochloride
InChI:
InChI=1S/C12H11ClN2.2ClH/c13-11-5-3-10(4-6-11)8-15-12-2-1-7-14-9-12;;/h1-7,9,15H,8H2;2*1H
InChI Key:
FQZWYUDSCOARJJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNc1cccnc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.6g/mol
Monoisotopic Mass:
290.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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