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114780-09-5 | 2-Pyridinemethanamine, 4-chloro-, hydrochloride (1:2)
CAS No: 114780-09-5 Catalog No: AG000F7U MDL No:MFCD09028163
Product Description
Catalog Number:
AG000F7U
Chemical Name:
2-Pyridinemethanamine, 4-chloro-, hydrochloride (1:2)
CAS Number:
114780-09-5
Molecular Formula:
C6H9Cl3N2
Molecular Weight:
215.5081
MDL Number:
MFCD09028163
IUPAC Name:
(4-chloropyridin-2-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C6H7ClN2.2ClH/c7-5-1-2-9-6(3-5)4-8;;/h1-3H,4,8H2;2*1H
InChI Key:
QDNWMMDFCUUMOM-UHFFFAOYSA-N
SMILES:
NCc1nccc(c1)Cl.Cl.Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.983g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.502g/mol
Monoisotopic Mass:
213.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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