| CAS Number | 758684-88-7 |
| Catalog Number | AG00GMB8(AGN-PC-0U8KDW) |
| Chemical Name | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, methyl ester (9CI) |
| IUPAC Name | methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate |
| InChI | InChI=1S/C7H11NO2/c1-10-5(9)6-2-7(8,3-6)4-6/h2-4,8H2,1H3 |
| InChI Key | IIYIKAGIHQBRNZ-UHFFFAOYSA-N |
| MDL Number | MFCD23164156 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | COC(=O)C12CC(N)(C1)C2 |
| Synonyms | 758684-88-7,
methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate,
SCHEMBL19766520,
MFCD23164156,
ZINC38847100,
AKOS026740240,
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, methyl ester (9CI),
SB10883,
KS-0000045Q,
AS-53766,
CS-0049128,
methyl3-aminobicyclo[1.1.1]pentane-1-carboxylate,
3-Aminobicyclo[1.1.1]pentane-1-carboxylic acid methyl ester,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number