| CAS Number | 539823-26-2 |
| Catalog Number | AG00D8G8(AGN-PC-0SG6XS) |
| Chemical Name | cis-(6-Hydroxymethyl-cyclohex-3-enyl)-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1 |
| InChI Key | ZDQAKBPTCCHWIB-UWVGGRQHSA-N |
| MDL Number | MFCD04974360 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | OC[C@@H]1CC=CC[C@@H]1NC(=O)OC(C)(C)C |
| Synonyms | 539823-26-2,
cis-(6-Hydroxymethyl-cyclohex-3-enyl)-carbamic acid tert-butyl ester,
MFCD04974360,
ZINC68134671,
T6560,
BOC-(+/-)-CIS-2-HYDROXYMETHYL-4-CYCLOHEXENYL-1-AMINE,
N-[6beta-(Hydroxymethyl)-3-cyclohexene-1beta-yl]carbamic acid tert-butyl ester,
tert-butyl N-[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]ca,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number