Basic information
- CAS
36853-15-3- Standard SMILES
CCOC(=O)c1c(C)cc(OCC(O)CN(CC)CC)nc1C- InChIKey
WUWPMNXFQYGPBW-UHFFFAOYSA-N- Molecular formula
- C17H28N2O4
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.20490738
Names & identifiers
- Preferred name
- Nicotinic acid, 6-(3-diethylamino-2-hydroxypropoxy)-2,4-dimethyl-, ethyl ester
- IUPAC
- ethyl 6-[3-(diethylamino)-2-hydroxypropoxy]-2,4-dimethylpyridine-3-carboxylate
- English name
- Nicotinic acid, 6-(3-diethylamino-2-hydroxypropoxy)-2,4-dimethyl-, eth yl ester
- Molecular weight
- 0
Names & synonyms
36853-15-3BRN 04223385-22-05-00139 (Beilstein Handbook Reference)6-(3-Diethylamino-2-hydroxypropoxy)-2,4-dimethylnicotinic acid ethyl esterNicotinic acid, 6-(3-diethylamino-2-hydroxypropoxy)-2,4-dimethyl-, ethyl ester3-Pyridinecarboxylic acid, 6-(3-(diethylamino)-2-hydroxypropoxy)-2,4-dimethyl-, ethyl esterRefChem:365661ethyl 6-[3-(diethylamino)-2-hydroxypropoxy]-2,4-dimethylpyridine-3-carboxylateDTXSID80958055Nicotinic acid, 6-(3-diethylamino-2-hydroxypropoxy)-2,4-dimethyl-, eth yl ester
Database identifiers
- CAS
36853-15-3- PubChem CID
- 215941
- DTXSID
DTXSID80958055- Nikkaji
- J42.473K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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