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1417794-25-2 | 3-Pyridinemethanamine, 6-chloro-N-(1-methylethyl)-, hydrochloride (1:1)
CAS No: 1417794-25-2 Catalog No: AG001H5B MDL No:MFCD22631803
Product Description
Catalog Number:
AG001H5B
Chemical Name:
3-Pyridinemethanamine, 6-chloro-N-(1-methylethyl)-, hydrochloride (1:1)
CAS Number:
1417794-25-2
Molecular Formula:
C9H14Cl2N2
Molecular Weight:
221.1269
MDL Number:
MFCD22631803
IUPAC Name:
N-[(6-chloropyridin-3-yl)methyl]propan-2-amine;hydrochloride
InChI:
InChI=1S/C9H13ClN2.ClH/c1-7(2)11-5-8-3-4-9(10)12-6-8;/h3-4,6-7,11H,5H2,1-2H3;1H
InChI Key:
CGWJRYFBRDGGOE-UHFFFAOYSA-N
SMILES:
CC(NCc1ccc(nc1)Cl)C.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.125g/mol
Monoisotopic Mass:
220.053g/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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