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1159813-38-3 | 4-Pyridinemethanamine, 2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1159813-38-3 Catalog No: AG000H9J MDL No:MFCD12400889
Product Description
Catalog Number:
AG000H9J
Chemical Name:
4-Pyridinemethanamine, 2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1159813-38-3
Molecular Formula:
C7H8ClF3N2
Molecular Weight:
212.6000
MDL Number:
MFCD12400889
IUPAC Name:
[2-(trifluoromethyl)pyridin-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)6-3-5(4-11)1-2-12-6;/h1-3H,4,11H2;1H
InChI Key:
BDDKPNSDKMBCNT-UHFFFAOYSA-N
SMILES:
NCc1ccnc(c1)C(F)(F)F.Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.6g/mol
Monoisotopic Mass:
212.033g/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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