| CAS Number | 89985-88-6 |
| Catalog Number | AG00H4HR(AGN-PC-0NDGD6) |
| Chemical Name | 1-[(Diphenylmethylene)amino]cyclopropanecarbonitrile |
| EC Number | 811-596-4 |
| IUPAC Name | 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C17H14N2/c18-13-17(11-12-17)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2 |
| InChI Key | HRIPVXSRVSVPPR-UHFFFAOYSA-N |
| MDL Number | MFCD28965107 |
| Molecular Formula | C17H14N2 |
| Molecular Weight | 246.3065 |
| SMILES | c1ccc(cc1)C(=NC2(CC2)C#N)c3ccccc3 |
| Synonyms | 89985-88-6,
1-[(Diphenylmethylidene)amino]cyclopropane-1-carbonitrile,
Cyclopropanecarbonitrile, 1-[(diphenylmethylene)amino]-,
1-((Diphenylmethylene)amino)cyclopropanecarbonitrile,
1-[(Diphenylmethylene)amino]cyclopropanecarbonitrile,
ACMC-20lsfh,
SCHEMBL1199802,
CTK2I7973,
DTXSID20449750,
KS-000005GM,
MFCD28965107,
AKOS030229713,
ZINC115479819,
AS-52951,
CS-0052704,
FT-0751877,
CID10955849,
1-(benzhydrylideneamino)cyclopropane-1-carbonitrile,
1-(diphenylmethylene)amino-1-cyclopropanecarbonitrile,
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| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.313g/mol |
| Monoisotopic Mass | 246.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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