| CAS Number | 1019607-55-6 |
| Catalog Number | AG00063T(AGN-PC-05CZZR) |
| Chemical Name | Benzonitrile, 4-(cyclopropylamino)- |
| IUPAC Name | 4-(cyclopropylamino)benzonitrile |
| InChI | InChI=1S/C10H10N2/c11-7-8-1-3-9(4-2-8)12-10-5-6-10/h1-4,10,12H,5-6H2 |
| InChI Key | SHZXUUVOVQTNCK-UHFFFAOYSA-N |
| MDL Number | MFCD11135501 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | N#CC1=CC=C(NC2CC2)C=C1 |
| Synonyms | 4-(Cyclopropylamino)benzonitrile,
1019607-55-6,
ACMC-2097xs,
SCHEMBL12733191,
CTK8A9017,
DTXSID50651420,
ANW-14558,
Benzonitrile, 4-(cyclopropylamino)-,
MFCD11135501,
ZINC19867425,
AKOS000218461,
CJ-16460,
TC-103303,
Z6432,
B-9145,
C10H10N2,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.204g/mol |
| Monoisotopic Mass | 158.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number