| CAS Number | 936551-50-7 |
| Catalog Number | AG00JPRN(AGN-PC-0C5L60) |
| Chemical Name | 3-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate |
| InChI | InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-5-7-4-8(7)6-11/h7-8H,4-6H2,1-3H3 |
| InChI Key | GLWHHMBAMGJDAE-UHFFFAOYSA-N |
| MDL Number | MFCD14525732 |
| Molecular Formula | C10H17NO2 |
| Molecular Weight | 183.2475 |
| SMILES | O=C(N1CC2CC2C1)OC(C)(C)C |
| Synonyms | 936551-50-7,
N-boc-3,4-methanopyrrolidine,
SCHEMBL4224986,
1-(tert-Butoxycarbonyl)-3,4-methanopyrrolidine,
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate,
3-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester,
2-Methyl-2-propanyl 3-azabicyclo[3.1.0]hexane-3-carboxylate,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.251g/mol |
| Monoisotopic Mass | 183.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number