Basic information
- CAS
102516-60-9- Standard SMILES
CCOC(=O)CCNC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
HBXVHNNUWGHNGY-UHFFFAOYSA-N- Molecular formula
- C15H26ClNO2
- Average molar mass
- 287.82 g/mol
- Monoisotopic mass
- 287.16520675
Names & identifiers
- Preferred name
- beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride
- IUPAC
- ethyl 3-(1-adamantylamino)propanoate;hydrochloride
Names & synonyms
N-beta-Carbethoxyethyladamantanamine hydrochloride102516-60-9beta-ALANINE, N-(1-ADAMANTYL)-, ETHYL ESTER, HYDROCHLORIDEN-(1-Adamantyl)-beta-alanine ethyl ester hydrochlorideDTXSID90145237RefChem:328909DTXCID9067728Ethyl N-(adamantan-1-yl)-beta-alaninate--hydrogen chloride (1/1)
Database identifiers
- CAS
102516-60-9- PubChem CID
- 59424
- DTXSID
DTXSID90145237
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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