Nicametate
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Basic information
- CAS
3099-52-3- Standard SMILES
CCN(CC)CCOC(=O)c1cccnc1- InChIKey
JVWOCHRRAWHKLT-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Overview
Nicametate is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- Nicametate
- IUPAC
- 2-(diethylamino)ethyl pyridine-3-carboxylate
- English name
- NICAMETATE
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
Nicametate3099-52-3NicametatoNicametatumML4O3WYO2MDTXSID9048300RefChem:165649DTXCID7028275221-452-72-(Diethylamino)ethyl nicotinate2-(diethylamino)ethyl pyridine-3-carboxylateNicotinic acid, 2-(diethylamino)ethyl ester
Show more names
EucastJVWOCHRRAWHKLT-UHFFFAOYSA-NNICAMETATE ISO 9001：2015 REACHnicotin 2-diethylaminoethyl ester2-diethylaminoethyl pyridine-3-carboxylate3-[2-(Diethylamino)ethoxycarbonyl]pyridine
Nicotinic Acid 2-Diethylamino-Ethyl EsterNicametate (INN)3-pyridinecarboxylic acid 2-(diethylamino)ethyl ester3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl esterNICAMETATE [INN]Nicametato [DCIT]Nicametatum [INN-Latin]Nicametate [INN:BAN:DCF]
Database identifiers
- CAS
3099-52-3- PubChem CID
- 71650
- DTXSID
DTXSID9048300- ChEMBL
CHEMBL1907110- ChEBI
CHEBI:134915- UNII
- ML4O3WYO2M
- EC Number
- 221-452-7
- Nikkaji
- J7.680E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 10 · bp10 155-157°; bp2 120-125°
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Yellow to Red
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 O3WYO2M · ML4O3WYO2M
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Additional notes
DefinitionChEBI: Nicametate is an aromatic carboxylic acid and a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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