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100306-70-5 | 4-Pyridinamine, 3-nitro-N-(phenylmethyl)-
CAS No: 100306-70-5 Catalog No: AG0001KB MDL No:MFCD02045331
Product Description
Catalog Number:
AG0001KB
Chemical Name:
4-Pyridinamine, 3-nitro-N-(phenylmethyl)-
CAS Number:
100306-70-5
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD02045331
IUPAC Name:
N-benzyl-3-nitropyridin-4-amine
InChI:
InChI=1S/C12H11N3O2/c16-15(17)12-9-13-7-6-11(12)14-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14)
InChI Key:
MEVVLVNFFGTNKY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1NCc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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