| CAS Number | 182291-66-3 |
| Catalog Number | AG0023LB(AGN-PC-0QC6P3) |
| Chemical Name | Tricyclo[3.3.1.13,7]decane-1-propanoic acid, α-amino-, hydrochloride (1:1) |
| IUPAC Name | 3-(1-adamantyl)-2-aminopropanoic acid;hydrochloride |
| InChI | InChI=1S/C13H21NO2.ClH/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13;/h8-11H,1-7,14H2,(H,15,16);1H |
| InChI Key | NSPGPACVPPNYAP-UHFFFAOYSA-N |
| MDL Number | MFCD28166323 |
| Molecular Formula | C13H22ClNO2 |
| Molecular Weight | 259.7723 |
| SMILES | Cl.NC(CC12CC3CC(CC(C3)C1)C2)C(=O)O |
| Synonyms | 182291-66-3,
3-(adamantan-1-yl)-2-aminopropanoic acid hydrochloride,
alpha-Aminotricyclo[3.3.1.13,7]decane-1-propanoic acid hydrochloride,
AK171054,
alpha-Aminotricyclo[3.3.1.1(3,7)]decane-1-propanoic acid HCl,
KS-000004MA,
MFCD28166323,
SB12154,
AS-52226,
CS-0051735,
3-(1-Adamantyl)-2-amino-propanoic acid HCl,
Tricyclo[3.3.1.13,7]decane-1-propanoic acid, alpha-amino-, hydrochloride (1:1),
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.774g/mol |
| Monoisotopic Mass | 259.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number