4-(2-Meo-PH)-2,6-dimethyl-1,4-2H-pyridine-3,5-dicarboxylic acid diethyl ester

HCID 989165
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Basic information

CAS
42972-42-9
Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1OC
InChIKey
CKXAAXUYRZNYJP-UHFFFAOYSA-N
Molecular formula
C20H25NO5
Average molar mass
359.4 g/mol

Names & identifiers

Preferred name
4-(2-Meo-PH)-2,6-dimethyl-1,4-2H-pyridine-3,5-dicarboxylic acid diethyl ester
IUPAC
diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
English name
diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular formula
C20H25NO5
Molecular weight
359.42

Names & synonyms

42972-42-94-(2-MEO-PH)-2,6-DIMETHYL-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DIETHYL ESTERRefChem:512558684-453-5diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateREV-2686Oprea1_034110Oprea1_703557CHEMBL38777SCHEMBL3001176CKXAAXUYRZNYJP-UHFFFAOYSA-NSTK861965
Show more names
3,5-diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-methoxyphenyl)-2,6-dimethyl-, 3,5-diethyl ester
AKOS000666692DA-19930CS-0298838AF-499/00045023Z903393013,5-dicarboethoxy-2,6-dimethyl-4-(2-methoxyphenyl)-1,4-dihydropyridinediethyl 1,4-dihydro-4-(2-methoxyphenyl)-2,6-dimethyl-3,5-pyridine dicarboxylatediethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Database identifiers

CAS
42972-42-9
PubChem CID
989165
ChEMBL
CHEMBL38777
EC Number
684-453-5
Nikkaji
J412.742K

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
26

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H319
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers4 total

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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