| CAS Number | 1014645-75-0 |
| Catalog Number | AG0004JD(AGN-PC-07B19J) |
| Chemical Name | 4-(1-Aminocyclopropyl)benzonitrile |
| IUPAC Name | 4-(1-aminocyclopropyl)benzonitrile |
| InChI | InChI=1S/C10H10N2/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4H,5-6,12H2 |
| InChI Key | GRTUEBYYYFNVJY-UHFFFAOYSA-N |
| MDL Number | MFCD11616338 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | NC1(C2=CC=C(C#N)C=C2)CC1 |
| Synonyms | 4-(1-Aminocyclopropyl)benzonitrile,
1014645-75-0,
SCHEMBL2111731,
CTK8C4014,
DTXSID00669479,
GRTUEBYYYFNVJY-UHFFFAOYSA-N,
ANW-70947,
MFCD11616338,
ZINC85224889,
AKOS006316086,
AS-55119,
AJ-127639,
ST2405302,
TC-159692,
4CH-018652,
X5726,
Benzonitrile, 4-(1-aminocyclopropyl)-,
C10H10N2,
4-(1-Aminocyclopropyl)benzonitrile HCl,
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| Complexity | 213 |
| 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 | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number