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1375069-39-8 | Benzonitrile, 4-amino-3-[(1,1-dimethylethyl)amino]-2-methyl-
CAS No: 1375069-39-8 Catalog No: AG0013GC MDL No:
Product Description
Catalog Number:
AG0013GC
Chemical Name:
Benzonitrile, 4-amino-3-[(1,1-dimethylethyl)amino]-2-methyl-
CAS Number:
1375069-39-8
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
IUPAC Name:
4-amino-3-(tert-butylamino)-2-methylbenzonitrile
InChI:
InChI=1S/C12H17N3/c1-8-9(7-13)5-6-10(14)11(8)15-12(2,3)4/h5-6,15H,14H2,1-4H3
InChI Key:
IKBGPBWYFHBVPV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1C)NC(C)(C)C)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.289g/mol
Monoisotopic Mass:
203.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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