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139111-13-0 | 2-Pyridinamine, N-methyl-, acetate (1:1)
CAS No: 139111-13-0 Catalog No: AG001ABE MDL No:
Product Description
Catalog Number:
AG001ABE
Chemical Name:
2-Pyridinamine, N-methyl-, acetate (1:1)
CAS Number:
139111-13-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
acetic acid;N-methylpyridin-2-amine
InChI:
InChI=1S/C6H8N2.C2H4O2/c1-7-6-4-2-3-5-8-6;1-2(3)4/h2-5H,1H3,(H,7,8);1H3,(H,3,4)
InChI Key:
SLKUGMJAVULTLQ-UHFFFAOYSA-N
SMILES:
CC(=O)O.CNc1ccccn1
Properties
Complexity:
94.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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