Basic information
- CAS
14722-49-7- Standard SMILES
CCC(=N)C(CC)(CCCN(C)C)c1cccc2ccccc12- InChIKey
NDMNMXOYZVRPOY-UHFFFAOYSA-N- Molecular formula
- C21H30N2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.24089897
Names & identifiers
- Preferred name
- 1-Heptylamine, N,N-dimethyl-4-ethyl-5-imino-4-(1-naphthyl)-
- IUPAC
- 4-ethyl-5-imino-N,N-dimethyl-4-naphthalen-1-ylheptan-1-amine
- English name
- N,N-Dimethyl-4-ethyl-5-imino-4-(1-naphtyl)-1-heptanamine
- Molecular formula
- C21H30N2
- Molecular weight
- 310.48
Names & synonyms
14722-49-71-HEPTYLAMINE, N,N-DIMETHYL-4-ETHYL-5-IMINO-4-(1-NAPHTHYL)-RefChem:10555141-Dimethylamino-4-ethyl-4-(1-naphthyl)-5-iminoheptaneBRN 27589224-ethyl-5-imino-N,N-dimethyl-4-naphthalen-1-ylheptan-1-amineN,N-Dimethyl-4-ethyl-5-imino-4-(1-naphthyl)-1-heptylamine4-Naphthalenebutylamine, N,N-dimethyl-4-ethyl-4-(1-iminopropyl)-DTXSID401384144N,N-Dimethyl-4-ethyl-5-imino-4-(1-naphtyl)-1-heptanamine1-Naphthalenebutanamine, δ-ethyl-δ-(1-iminopropyl)-N,N-dimethyl-
Database identifiers
- CAS
14722-49-7- PubChem CID
- 26844
- DTXSID
DTXSID401384144- Nikkaji
- J73.677E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 481.6 · 481.6±45.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- pka
- 10.2 · 10.20±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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