| CAS Number | 918152-17-7 |
| Catalog Number | AG006LAV(AGN-PC-06NCZM) |
| Chemical Name | 3-Amino-4-(cyclopropylamino)benzonitrile |
| IUPAC Name | 3-amino-4-(cyclopropylamino)benzonitrile |
| InChI | InChI=1S/C10H11N3/c11-6-7-1-4-10(9(12)5-7)13-8-2-3-8/h1,4-5,8,13H,2-3,12H2 |
| InChI Key | DZNLWLXUPNNEPH-UHFFFAOYSA-N |
| MDL Number | MFCD12189563 |
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.2144 |
| SMILES | NC1=C(NC2CC2)C=CC(C#N)=C1 |
| Synonyms | 3-Amino-4-(cyclopropylamino)benzonitrile,
918152-17-7,
Benzonitrile, 3-amino-4-(cyclopropylamino)-,
ACMC-209rdp,
SCHEMBL8250121,
CTK3H8393,
DTXSID50656112,
ANW-39755,
KM3062,
MFCD12189563,
ZINC35674297,
AKOS009543600,
CJ-18829,
TC-128500,
V9140,
C10H11N3,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.219g/mol |
| Monoisotopic Mass | 173.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number