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101252-40-8 | 4-Pyridineethanamine, N-methyl-, hydrochloride (1:2)
CAS No: 101252-40-8 Catalog No: AG00042I MDL No:MFCD09878834
Product Description
Catalog Number:
AG00042I
Chemical Name:
4-Pyridineethanamine, N-methyl-, hydrochloride (1:2)
CAS Number:
101252-40-8
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD09878834
IUPAC Name:
N-methyl-2-pyridin-4-ylethanamine;dihydrochloride
InChI:
InChI=1S/C8H12N2.2ClH/c1-9-5-2-8-3-6-10-7-4-8;;/h3-4,6-7,9H,2,5H2,1H3;2*1H
InChI Key:
IYZYBOCTDVWOKY-UHFFFAOYSA-N
SMILES:
CNCCc1ccncc1.Cl.Cl
Properties
Complexity:
77.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.114g/mol
Monoisotopic Mass:
208.053g/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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