Basic information
- CAS
93515-26-5- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2c(c1)OCO2- InChIKey
MPQJJXRGOXYEOP-UHFFFAOYSA-N- Molecular formula
- C18H19NO6
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.12123733
Names & identifiers
- Preferred name
- Dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
93515-26-5dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateDTXSID00351589RefChem:338595DTXCID80302655dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateDimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateOprea1_420855CHEMBL2063653SCHEMBL10617897MPQJJXRGOXYEOP-UHFFFAOYSA-NSTK861972
Show more names
AKOS000552654ST097556AB00095918-01SR-01000419732SR-01000419732-1dimethyl 2,6-dimethyl-4-(3,4-methylenedioxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatemethyl 4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-5-(methoxycarbonyl)-2,6-dimethyl-1 ,4-dihydropyridine-3-carboxylate
Database identifiers
- CAS
93515-26-5- PubChem CID
- 704243
- DTXSID
DTXSID00351589- ChEMBL
CHEMBL2063653- EC Number
- 158-245-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 599
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
2 records
Compound notes
Loading…