Quinisocaine
CAS Registry Number®
86-80-6
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CAS Name
QuinisocaineMolecular Formula
C17H24N2OMolecular Mass
272.39Cite this Page
Quinisocaine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=86-80-6 (retrieved ) (CAS RN: 86-80-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
155-157 °C @ Press: 3 TorrMelting Point (2)
146 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKey
InChIKey=XNMYNYSCEJBRPZ-UHFFFAOYSA-N
SMILES
O(CCN(C)C)C=1C2=C(C=C(CCCC)N1)C=CC=C2
Canonical SMILES
N=1C(OCCN(C)C)=C2C=CC=CC2=CC1CCCC
Other Names for this Substance
- Ethanamine, 2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethyl-
- Isoquinoline, 3-butyl-1-[2-(dimethylamino)ethoxy]-
- 2-[(3-Butyl-1-isoquinolinyl)oxy]-N,N-dimethylethanamine
- Dimethisoquin
- 1-(β-Dimethylaminoethoxy)-3-n-butylisoquinoline
