| CAS Number | 92500-50-0 |
| Catalog Number | AG019X8P |
| Chemical Name | [1-(1,3-dioxaindan-5-yl)cyclohexyl]methanamine |
| IUPAC Name | [1-(1,3-benzodioxol-5-yl)cyclohexyl]methanamine |
| InChI | InChI=1S/C14H19NO2/c15-9-14(6-2-1-3-7-14)11-4-5-12-13(8-11)17-10-16-12/h4-5,8H,1-3,6-7,9-10,15H2 |
| InChI Key | TWWFGVBNOZIDQX-UHFFFAOYSA-N |
| MDL Number | MFCD10690216 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | NCC1(C2=CC3=C(OCO3)C=C2)CCCCC1 |
| Synonyms | [1-(2H-1,3-benzodioxol-5-yl)cyclohexyl]methanamine,
92500-50-0,
AC1Q53Q7,
SCHEMBL3517809,
ZINC34940529,
AKOS005202904,
MCULE-8048006122,
NE19153,
EN300-54354,
Z818727416,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number