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10272-10-3 | 1,3-Benzenedicarbonitrile, 2-amino-4,6-dimethyl-
CAS No: 10272-10-3 Catalog No: AG00087S MDL No:
Product Description
Catalog Number:
AG00087S
Chemical Name:
1,3-Benzenedicarbonitrile, 2-amino-4,6-dimethyl-
CAS Number:
10272-10-3
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
IUPAC Name:
2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C10H9N3/c1-6-3-7(2)9(5-12)10(13)8(6)4-11/h3H,13H2,1-2H3
InChI Key:
MMZNMKQTEGNFOB-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(c(c1N)C#N)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Protolytic dissociation of cyanoanilines in the ground and excited state in water and methanol solutions. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115 |
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