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1417794-36-5 | 2-Pyridinamine, 3-nitro-N-3-pyrrolidinyl-, hydrochloride (1:1)
CAS No: 1417794-36-5 Catalog No: AG001H51 MDL No:MFCD22631745
Product Description
Catalog Number:
AG001H51
Chemical Name:
2-Pyridinamine, 3-nitro-N-3-pyrrolidinyl-, hydrochloride (1:1)
CAS Number:
1417794-36-5
Molecular Formula:
C9H13ClN4O2
Molecular Weight:
244.6781
MDL Number:
MFCD22631745
IUPAC Name:
3-nitro-N-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
InChI:
InChI=1S/C9H12N4O2.ClH/c14-13(15)8-2-1-4-11-9(8)12-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2,(H,11,12);1H
InChI Key:
RSNZMOIMXSSVJS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1NC1CNCC1.Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.679g/mol
Monoisotopic Mass:
244.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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