1-Naphthalenemethanamine, 1,2,3,4-tetrahydro-8-ethyl-N-(2-phenylethyl)-, (Z)-2-butenedioate
Basic information
- CAS
102147-05-7- Standard SMILES
CCc1cccc2c1C(C[NH2+]CCc1ccccc1)CCC2.O=C([O-])/C=C\C(=O)O- InChIKey
WCQHPCLYNKQEQL-BTJKTKAUSA-N- Molecular formula
- C25H31NO4
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.22530847
Names & identifiers
- Preferred name
- 1-Naphthalenemethanamine, 1,2,3,4-tetrahydro-8-ethyl-N-(2-phenylethyl)-, (Z)-2-butenedioate
- IUPAC
- (8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-(2-phenylethyl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
1-Naphthalenemethanamine, 1,2,3,4-tetrahydro-8-ethyl-N-(2-phenylethyl)-, (Z)-2-butenedioate102147-05-7RefChem:10559808-Ethyl-1-(2-phenylethylamino)methyl-1,2,3,4-tetrahydronaphthalene hydrogen maleate1,2,3,4-Tetrahydro-8-ethyl-N-(2-phenylethyl)-1-naphthalenemethanamine maleate
Database identifiers
- CAS
102147-05-7- PubChem CID
- 6435686
Properties
Computed structural properties
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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