| CAS Number | 1363381-51-4 |
| Catalog Number | AG0011OG(AGN-PC-0WBSJ2) |
| Chemical Name | Methyl 3-Azabicyclo[3.1.1]Heptane-6-Carboxylate |
| IUPAC Name | methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate |
| InChI | InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-6(7)4-9-3-5/h5-7,9H,2-4H2,1H3 |
| InChI Key | PPFNTLCZEGSHSC-UHFFFAOYSA-N |
| MDL Number | MFCD21647390 |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.1943 |
| SMILES | COC(C1C2CNCC1C2)=O |
| Synonyms | Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate,
1363381-51-4,
SCHEMBL16920614,
KS-000006MX,
AKOS025289526,
FCH1762132,
AK170317,
CS-0049124,
3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester,
Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate HCl,
METHYL 3-AZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLATE HYDROCHLORIDE,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number