| CAS Number | 1172097-47-0 |
| Catalog Number | AG000DX3(AGN-PC-0WAJN5) |
| Chemical Name | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, hydrochloride (1:1) |
| IUPAC Name | 3-aminobicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H9NO2.ClH/c7-6-1-5(2-6,3-6)4(8)9;/h1-3,7H2,(H,8,9);1H |
| InChI Key | GJEQUVVCBPCCCS-UHFFFAOYSA-N |
| MDL Number | MFCD09971722 |
| Molecular Formula | C6H10ClNO2 |
| Molecular Weight | 163.6021 |
| SMILES | Cl.NC12CC(C1)(C2)C(O)=O |
| Synonyms | 3-aminobicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride,
1172097-47-0,
3-Aminobicyclo[1.1.1]pentane-1-carboxylic acid HCl,
AC1Q3D0X,
CTK7I6054,
KS-000005OE,
MFCD09971722,
AKOS025291078,
CS-W000162,
GS-8005,
NE60569,
SB13286,
EN300-88073,
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, hydrochloride (1:1),
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.601g/mol |
| Monoisotopic Mass | 163.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number