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137888-65-4 | Acetamide, 2-amino-N-4-pyridinyl-, acetate (1:1)
CAS No: 137888-65-4 Catalog No: AG001410 MDL No:
Product Description
Catalog Number:
AG001410
Chemical Name:
Acetamide, 2-amino-N-4-pyridinyl-, acetate (1:1)
CAS Number:
137888-65-4
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
IUPAC Name:
acetic acid;2-amino-N-pyridin-4-ylacetamide
InChI:
InChI=1S/C7H9N3O.C2H4O2/c8-5-7(11)10-6-1-3-9-4-2-6;1-2(3)4/h1-4H,5,8H2,(H,9,10,11);1H3,(H,3,4)
InChI Key:
IVAFKBAMENWCRS-UHFFFAOYSA-N
SMILES:
CC(=O)O.NCC(=O)Nc1ccncc1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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