N,N-Diethyl-2-(2-methoxy-6-(2-propen-1-yl)phenoxy)ethanamine
Basic information
- CAS
6006-09-3- Standard SMILES
C=CCc1cccc(OC)c1OCCN(CC)CC- InChIKey
BGBFVIKSTCLLDW-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Names & identifiers
- Preferred name
- N,N-Diethyl-2-(2-methoxy-6-(2-propen-1-yl)phenoxy)ethanamine
- IUPAC
- N,N-diethyl-2-(2-methoxy-6-prop-2-enylphenoxy)ethanamine
- English name
- N,N-Diethyl-2-[2-methoxy-6-(2-propenyl)phenoxy]ethanamine
- Molecular formula
- C16H25NO2
- Molecular weight
- 263.38
Names & synonyms
GravitolPregnantol6006-09-32-(2-Allyl-6-methoxyphenoxy)triethylamine2EW14N89J4NSC-163071N,N-DIETHYL-2-(2-METHOXY-6-(2-PROPEN-1-YL)PHENOXY)ETHANAMINERefChem:1090429Gravitol(e)Triethylamine, 2-(2-allyl-6-methoxyphenoxy)-N,N-Diethyl-2-[2-methoxy-6-(2-propenyl)phenoxy]ethanamine3-ALLYL-2-(2-DIETHYLAMINOETHOXY)-ANISOLE
Show more names
N,N-diethyl-2-(2-methoxy-6-prop-2-enylphenoxy)ethanamineEthanamine, N,N-diethyl-2-[2-methoxy-6-(2-propen-1-yl)phenoxy]-
2-(2-Allyl-6-methoxyphenoxy)-N,N-diethylethanamine2-Diethylaminoethoxy-3-allylanisolEINECS 227-853-3NSC 163071BRN 21285266-Allyl-2-methoxy-1-diethylaminoethoxybenzeneGRAVITOL(E) [MI]2-(2-Allyl-6-methoxyphenoxy)ethyl(diethyl)amine
Database identifiers
- CAS
6006-09-3- PubChem CID
- 80104
- DTXSID
DTXSID10871920- UNII
- 2EW14N89J4
- EC Number
- 227-853-3
- Nikkaji
- J223.944B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 10 · bp10 160-161°; bp2-3 141-144°
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- refractive index
- 24.5 · nD24.5 1.5075
- pka
- 9.63 · 9.63±0.25(Predicted)
- FDA UNII
- 74 F2AX6DSA · 74F2AX6DSA
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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