3-Amino-4-(isopropylamino)benzonitrile - CAS 355022-20-7
Catalog: |
BB074692 |
Product Name: |
3-Amino-4-(isopropylamino)benzonitrile |
CAS: |
355022-20-7 |
Synonyms: |
3-Amino-4-[(1-methylethyl)amino]benzonitrile; 3-Amino-4-(isopropylamino)benzonitrile |
IUPAC Name: | 3-amino-4-(propan-2-ylamino)benzonitrile |
Description: | 3-Amino-4-(isopropylamino)benzonitrile |
Molecular Weight: | 175.23 |
Molecular Formula: | C10H13N3 |
Canonical SMILES: | CC(C)NC1=C(C=C(C=C1)C#N)N |
InChI: | InChI=1S/C10H13N3/c1-7(2)13-10-4-3-8(6-11)5-9(10)12/h3-5,7,13H,12H2,1-2H3 |
InChI Key: | WGQXTVGXGZYJFC-UHFFFAOYSA-N |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.110947427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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