2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine
Basic information
- CAS
7712-50-7- Standard SMILES
CCN(CC)CCOCCC1=CCC2CC1C2(C)C- InChIKey
BZRYYBWNOUALTQ-UHFFFAOYSA-N- Molecular formula
- C17H31NO
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.24056461
Names & identifiers
- Preferred name
- 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine
- IUPAC
- 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine
- English name
- myrtecaine
- Molecular formula
- C17H31NO
- Molecular weight
- 265.43
Names & synonyms
2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamineMyrtecainSCHEMBL26074CHEMBL1630579BZRYYBWNOUALTQ-UHFFFAOYSA-NNS00003201NopoxaminemyrtecaineMYRTECAINE LIQUID2-[2-(6,6-Dimethylnorpinan-2-en-2-yl)ethoxy]-N,N-diethylethanamineEthanamine, 2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethoxy]-N,N-diethyl-
Database identifiers
- CAS
7712-50-7- PubChem CID
- 71851
- ChEMBL
CHEMBL1630579- Nikkaji
- J9.653I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 2 · bp2-3 135-140°
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- refractive index
- 20 · nD20 1.477
- pka
- 9.77 · 9.77±0.25(Predicted)
- FDA UNII
- 9902116282 · 9902116282
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H411-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H411-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…