| CAS Number | 1702300-72-8 |
| Catalog Number | AG019EX0(AGN-PC-0WG4CV) |
| Chemical Name | tert-Butyl 4-(3-chloropropyl)-4-cyanopiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-chloropropyl)-4-cyanopiperidine-1-carboxylate |
| InChI | InChI=1S/C14H23ClN2O2/c1-13(2,3)19-12(18)17-9-6-14(11-16,7-10-17)5-4-8-15/h4-10H2,1-3H3 |
| InChI Key | ISILMCSLNHEKMN-UHFFFAOYSA-N |
| MDL Number | MFCD22384468 |
| Molecular Formula | C14H23ClN2O2 |
| Molecular Weight | 286.7976 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CCCCl)(CC1)C#N |
| Synonyms | 1702300-72-8,
tert-Butyl 4-(3-chloropropyl)-4-cyanopiperidine-1-carboxylate,
4-(3-CHLORO-PROPYL)-4-CYANO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
SCHEMBL16650460,
ISILMCSLNHEKMN-UHFFFAOYSA-N,
MFCD22384468,
ZINC238149887,
CS-0036389,
tert-butyl 4-(3-chloropropyl)-4-cyano-piperidine-1-carboxylate,
4-(3-Chloro-propyl)-4-cyano-piperidine-1-carboxylic acid t-butyl ester,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.8g/mol |
| Monoisotopic Mass | 286.145g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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