| CAS Number | 355022-20-7 |
| Catalog Number | AG00CLNW(AGN-PC-03HZFK) |
| Chemical Name | 3-Amino-4-(isopropylamino)benzonitrile |
| IUPAC Name | 3-amino-4-(propan-2-ylamino)benzonitrile |
| 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 |
| MDL Number | MFCD09031713 |
| Molecular Formula | C10H13N3 |
| Molecular Weight | 175.2303 |
| SMILES | N#Cc1ccc(c(c1)N)NC(C)C |
| Synonyms | 3-Amino-4-(isopropylamino)benzonitrile,
355022-20-7,
3-AMINO-4-ISOPROPYLAMINO-BENZONITRILE,
ACMC-209ihd,
3-Amino-4-[(propan-2-yl)amino]benzonitrile,
Benzonitrile, 3-amino-4-[(1-methylethyl)amino]-,
SCHEMBL2339309,
CTK7C7557,
DTXSID50620378,
ANW-28223,
MFCD09031713,
ZINC21993963,
AKOS009543453,
CJ-17167,
TC-116968,
V5453,
K-8031,
C10H13N3,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.235g/mol |
| Monoisotopic Mass | 175.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number