| CAS Number | 41010-09-7 |
| Catalog Number | AG019N24(AGN-PC-0N9X02) |
| Chemical Name | 3-cyclohexylpropanenitrile |
| IUPAC Name | 3-cyclohexylpropanenitrile |
| InChI | InChI=1S/C9H15N/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-7H2 |
| InChI Key | DFCILIYDUNACSC-UHFFFAOYSA-N |
| MDL Number | MFCD00058669 |
| Molecular Formula | C9H15N |
| Molecular Weight | 137.2221 |
| SMILES | N#CCCC1CCCCC1 |
| Synonyms | 3-cyclohexylpropanenitrile,
41010-09-7,
3-Cyclohexylpropionitrile,
Cyclohexanepropanenitrile,
3-cyclohexyl-propionitrile,
AC1Q4S78,
SCHEMBL1044132,
CTK1D4114,
DTXSID00444248,
DFCILIYDUNACSC-UHFFFAOYSA-N,
ZINC32627500,
AKOS009321120,
MCULE-1308152967,
NE19307,
EN300-39194,
Z1245664660,
4-Cyclohexyl-butyne,
CID10749242,
141345-08-6,
4441-66-1,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.226g/mol |
| Monoisotopic Mass | 137.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number