Ethyl 2,6-dimethylnicotinate

HCID 351337
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1721-13-7
Standard SMILES
CCOC(=O)c1ccc(C)nc1C
InChIKey
IDTTVGCBBDITAR-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
Ethyl 2,6-dimethylnicotinate
IUPAC
ethyl 2,6-dimethylpyridine-3-carboxylate
English name
2,6-DIMETHYL-NICOTINIC ACID ETHYL ESTER
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

1721-13-7ethyl 2,6-dimethylnicotinate2,6-DIMETHYL-NICOTINIC ACID ETHYL ESTERethyl 2,6-dimethylpyridine-3-carboxylateEthyl 2,6-dimethyl nicotinateMFCD032657772,6-DIMETHYLNICOTINIC ACID ETHYL ESTEREthyl2,6-dimethylnicotinateNSC521052SCHEMBL56640073-Pyridinecarboxylic acid, 2,6-dimethyl-, ethyl esterDTXSID40325880
Show more names
AURORA KA-30692,6-dimethylnicotin ethyl esterEthyl 2,6-dimethyl-3-pyridinecarboxylate2,6-Dimethyl nicotine acid ethyl ester2, 6-dimethyl-3-pyridinecarboxylic acid ethyl ester
IDTTVGCBBDITAR-UHFFFAOYSA-NAKOS010485997AB13966NSC-521052WS-02207DB-064840CS-0308496EN300-122661

Database identifiers

CAS
1721-13-7
PubChem CID
351337
DTXSID
DTXSID40325880
Nikkaji
J1.782.099K

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Boiling point
244 · 244-245 °C(Press: 147 Torr)
Density
1.507 g/cm3 · 1.5070 g/cm3
storage temp.
Sealed in dry,Room Temperature
pka
4.74 · 4.74±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers37 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…