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1421013-61-7 | 2,3-Pyridinediamine, N2-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS No: 1421013-61-7 Catalog No: AG001HSN MDL No:
Product Description
Catalog Number:
AG001HSN
Chemical Name:
2,3-Pyridinediamine, N2-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS Number:
1421013-61-7
Molecular Formula:
C16H20N4
Molecular Weight:
268.3568
IUPAC Name:
2-N-[(3S)-1-benzylpyrrolidin-3-yl]pyridine-2,3-diamine
InChI:
InChI=1S/C16H20N4/c17-15-7-4-9-18-16(15)19-14-8-10-20(12-14)11-13-5-2-1-3-6-13/h1-7,9,14H,8,10-12,17H2,(H,18,19)/t14-/m0/s1
InChI Key:
VCOCTBVOMHSTTI-AWEZNQCLSA-N
SMILES:
Nc1cccnc1N[C@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.364g/mol
Monoisotopic Mass:
268.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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