Basic information
- CAS
118202-66-7- Standard SMILES
CC(Cc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2.O=P(O)(O)O- InChIKey
FIJSYJABOMOSBQ-UHFFFAOYSA-N- Molecular formula
- C21H34NO4P
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.22254556
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.1(sup 3,7))decane-1-ethanamine, N-(1-methyl-2-phenylethyl)-, phosphate (1:1)
- IUPAC
- N-[2-(1-adamantyl)ethyl]-1-phenylpropan-2-amine;phosphoric acid
Names & synonyms
N-(1-(1-Adamantyl)ethyl)-2-phenylisopropylamine phosphate118202-66-7N-(1-Methyl-2-phenylethyl)tricyclo(3.3.1.1(sup 3,7))decane-1-ethanamine phosphateTricyclo(3.3.1.1(sup 3,7))decane-1-ethanamine, N-(1-methyl-2-phenylethyl)-, phosphate (1:1)RefChem:385973DTXSID00922632Phosphoric acid--N-[2-(adamantan-1-yl)ethyl]-1-phenylpropan-2-amine (1/1)
Database identifiers
- CAS
118202-66-7- PubChem CID
- 64597
- DTXSID
DTXSID00922632
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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