CAS
98656-57-6 Purity
96%
98656-57-6 Purity
96%
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2-(6,7-Diethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propane-1,3-diol
CAS
98661-43-9
Catalog Number
ACM98661439
Category
Other Products
Molecular Weight
295.37
Molecular Formula
C16H25NO4
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Specification
Synonyms
2-(6,7-DIETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPANE-1,3-DIOL
What is the molecular formula of the compound in the reference?
The molecular formula of the compound is C16H25NO4.
What is the molecular weight of the compound?
The molecular weight of the compound is 295.37 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1,3-diol.
What is the InChI representation of the compound?
The InChI representation of the compound is InChI=1S/C16H25NO4/c1-3-20-14-7-11-5-6-17-16(12(9-18)10-19)13(11)8-15(14)21-4-2/h7-8,12,16-19H,3-6,9-10H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is DLPCTIQNIDHILA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC1=C(C=C2C(NCCC2=C1)C(CO)CO)OCC.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.9.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
98661-42-8 Purity
96%
98661-42-8 Purity
96%
