1-Propanamine, N,N-dimethyl-3-(1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethoxy)-, (Z)-2-butenedioate
Basic information
- CAS
51490-55-2- Standard SMILES
CN(C)CCCOC(C)(c1ccccc1)c1ccc2c(c1)CCCCC2.O=C(O)/C=C/C(=O)O- InChIKey
ADVOMKKNEGSQEY-WLHGVMLRSA-N- Molecular formula
- C28H37NO5
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.26717328
Names & identifiers
- Preferred name
- 1-Propanamine, N,N-dimethyl-3-(1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethoxy)-, (Z)-2-butenedioate
- IUPAC
- (E)-but-2-enedioic acid;N,N-dimethyl-3-[1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethoxy]propan-1-amine
Names & synonyms
1-Propanamine, N,N-dimethyl-3-(1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethoxy)-, (Z)-2-butenedioate51490-55-2RefChem:1056854
Database identifiers
- CAS
51490-55-2- PubChem CID
- 6445889
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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