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79707-12-3 | N3-Benzylpyridine-2,3-diamine
CAS No: 79707-12-3 Catalog No: AG005ILP MDL No:MFCD11615800
Product Description
Catalog Number:
AG005ILP
Chemical Name:
N3-Benzylpyridine-2,3-diamine
CAS Number:
79707-12-3
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD11615800
IUPAC Name:
3-N-benzylpyridine-2,3-diamine
InChI:
InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)
InChI Key:
MUKAGFLFIMVSQN-UHFFFAOYSA-N
SMILES:
Nc1ncccc1NCc1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Application of fragment screening by X-ray crystallography to beta-secretase. | Journal of medicinal chemistry 20070322 |
| Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. | Journal of medicinal chemistry 20070322 |
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