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1481633-77-5 | Benzonitrile, 3,4-diamino-2-methyl-
CAS No: 1481633-77-5 Catalog No: AG001FHX MDL No:
Product Description
Catalog Number:
AG001FHX
Chemical Name:
Benzonitrile, 3,4-diamino-2-methyl-
CAS Number:
1481633-77-5
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
IUPAC Name:
3,4-diamino-2-methylbenzonitrile
InChI:
InChI=1S/C8H9N3/c1-5-6(4-9)2-3-7(10)8(5)11/h2-3H,10-11H2,1H3
InChI Key:
DRMROTAFNURKCI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1C)N)N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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