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1003561-87-2 | 3-Pyridineethanamine, N-methyl-, hydrochloride (1:2)
CAS No: 1003561-87-2 Catalog No: AG0001P7 MDL No:MFCD03840042
Product Description
Catalog Number:
AG0001P7
Chemical Name:
3-Pyridineethanamine, N-methyl-, hydrochloride (1:2)
CAS Number:
1003561-87-2
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD03840042
IUPAC Name:
N-methyl-2-pyridin-3-ylethanamine;dihydrochloride
InChI:
InChI=1S/C8H12N2.2ClH/c1-9-6-4-8-3-2-5-10-7-8;;/h2-3,5,7,9H,4,6H2,1H3;2*1H
InChI Key:
LPNPZPFIFWNIMQ-UHFFFAOYSA-N
SMILES:
CNCCc1cccnc1.Cl.Cl
Properties
Complexity:
83.3
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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