3-Aminomethyl-adamantane-1-carboxylic Acid Hydrochloride - CAS 1217050-21-9
Catalog: |
BB074379 |
Product Name: |
3-Aminomethyl-adamantane-1-carboxylic Acid Hydrochloride |
CAS: |
1217050-21-9 |
Synonyms: |
3-(aminomethyl)adamantane-1-carboxylic acid hydrochloride; 3-(aminomethyl)adamantane-1-carboxylicacidhydrochloride; 3-(Aminomethyl)adamantane-1-carboxylic acidhydrochloride |
IUPAC Name: | 3-(aminomethyl)adamantane-1-carboxylic acidhydrochloride |
Molecular Weight: | 209.28 + (36.46) |
Molecular Formula: | C12H19NO2·HCl |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)C(=O)O)CN.Cl |
InChI: | InChI=1S/C12H19NO2.ClH/c13-7-11-2-8-1-9(3-11)5-12(4-8,6-11)10(14)15/h8-9H,1-7,13H2,(H,14,15)1H |
InChI Key: | JUMBJSLQQRRJAF-UHFFFAOYSA-N |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1182566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1182566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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