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1421013-34-4 | 2-Pyridinamine, 3-nitro-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS No: 1421013-34-4 Catalog No: AG001HSO MDL No:
Product Description
Catalog Number:
AG001HSO
Chemical Name:
2-Pyridinamine, 3-nitro-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS Number:
1421013-34-4
Molecular Formula:
C16H18N4O2
Molecular Weight:
298.3397
IUPAC Name:
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-nitropyridin-2-amine
InChI:
InChI=1S/C16H18N4O2/c21-20(22)15-7-4-9-17-16(15)18-14-8-10-19(12-14)11-13-5-2-1-3-6-13/h1-7,9,14H,8,10-12H2,(H,17,18)/t14-/m0/s1
InChI Key:
ZBUGFDDNHXCOSL-AWEZNQCLSA-N
SMILES:
[O-][N+](=O)c1cccnc1N[C@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.346g/mol
Monoisotopic Mass:
298.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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