| CAS Number | 1427460-12-5 |
| Catalog Number | AG00IKRC(AGN-PC-0WG3H3) |
| Chemical Name | 3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(6-13)9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15) |
| InChI Key | OQCJMHMUVJXYQH-UHFFFAOYSA-N |
| MDL Number | MFCD21642062 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | C(=O)(OC(C)(C)C)N1CC2C(C(C1)C2)C(=O)O |
| Synonyms | 3-BOC-3-AZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLIC ACID,
3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLIC ACID,
1427460-12-5,
1250995-41-5,
MFCD21642062,
AKOS026739495,
FCH1629646,
PB15509,
SB19977,
AS-42779,
OR317283,
CS-0051508,
Q-4175,
3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylic acid, AldrichCPR,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number