| CAS Number | 957501-30-3 |
| Catalog Number | AG01BUQL |
| Chemical Name | 2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol |
| IUPAC Name | 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol |
| InChI | InChI=1S/C14H29NO/c1-5-12(10-16)15-13-8-6-11(7-9-13)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3 |
| InChI Key | SGGLIDLFSHTYNW-UHFFFAOYSA-N |
| MDL Number | MFCD04041506 |
| Molecular Formula | C14H29NO |
| Molecular Weight | 227.3862 |
| SMILES | CCC(NC1CCC(C(C)(C)C)CC1)CO |
| Synonyms | 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol,
957501-30-3,
2-{[4-(tert-butyl)cyclohexyl]amino}butan-1-ol,
AC1MH7MO,
CTK6C9367,
SBB032990,
STK309491,
AKOS000311680,
MCULE-9861817300,
ST45083898,
CID2947542,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.392g/mol |
| Monoisotopic Mass | 227.225g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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