Basic information
- CAS
70424-77-0- Standard SMILES
CCN(CC)CCOCC1C(C)=CCC2C1C2(C)C- InChIKey
PULVHGXFJNZOLV-UHFFFAOYSA-N- Molecular formula
- C17H31NO
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.24056461
Names & identifiers
- Preferred name
- Diethyl(2-((3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)methoxy)ethyl)amine
- IUPAC
- N,N-diethyl-2-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
- English name
- diethyl[2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethyl]amine
- Molecular formula
- C17H31NO
- Molecular weight
- 265.43
Names & synonyms
70424-77-0EINECS 274-602-9Diethyl(2-((3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)methoxy)ethyl)amineDTXSID60990635PULVHGXFJNZOLV-UHFFFAOYSA-NNS00061134N,N-Diethyl-2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethan-1-aminediethyl[2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethyl]amineN,N-Diethyl-2-[3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-ylmethoxy]ethanamineEthanamine, N,N-diethyl-2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]-
Database identifiers
- CAS
70424-77-0- PubChem CID
- 198529
- DTXSID
DTXSID60990635- EC Number
- 274-602-9
- Nikkaji
- J283.180E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 326.4 · 326.4±15.0 °C(Predicted)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- pka
- 9.76 · 9.76±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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