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146273-54-3 | 1H-1,4-Diazepine-2,3-dicarbonitrile, 4,5,6,7-tetrahydro-5,7-dimethyl-
CAS No: 146273-54-3 Catalog No: AG001DTX MDL No:
Product Description
Catalog Number:
AG001DTX
Chemical Name:
1H-1,4-Diazepine-2,3-dicarbonitrile, 4,5,6,7-tetrahydro-5,7-dimethyl-
CAS Number:
146273-54-3
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
IUPAC Name:
5,7-dimethyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-2,3-dicarbonitrile
InChI:
InChI=1S/C9H12N4/c1-6-3-7(2)13-9(5-11)8(4-10)12-6/h6-7,12-13H,3H2,1-2H3
InChI Key:
XXRGXUTXKBOEOH-UHFFFAOYSA-N
SMILES:
CC1CC(C)NC(=C(N1)C#N)C#N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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