Basic information
- CAS
7593-63-7- Standard SMILES
COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)OC- InChIKey
LBIZAJRRCYJCDI-UHFFFAOYSA-N- Molecular formula
- C18H15NO6
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.0899372
Overview
Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate is a member of isoquinolines.
Names & identifiers
- Preferred name
- Trimethyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate
- IUPAC
- trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
- English name
- trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
- Molecular formula
- C18H15NO6
- Molecular weight
- 341.31
Names & synonyms
Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate7593-63-7TRIMETHYL PYRROLO(2,1-A)ISOQUINOLINE-1,2,3-TRICARBOXYLATERefChem:899751661-954-71,2,3-TRIMETHYL PYRROLO[2,1-A]ISOQUINOLINE-1,2,3-TRICARBOXYLATEF0896-0345Pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylic acid trimethyl esterOprea1_823943CHEBI:189181LBIZAJRRCYJCDI-UHFFFAOYSA-NSMSSF-0062211
Show more names
Pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylic acid, 1,2,3-trimethyl ester
CCG-19045STK724403AKOS000530502ST045651SR-01000474807SR-01000474807-1Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate #methyl 8,9-bis(methoxycarbonyl)-7-hydropyrrolo[2,1-a]isoquinoline-10-carboxyla te
Database identifiers
- CAS
7593-63-7- PubChem CID
- 628301
- ChEBI
CHEBI:189181
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Melting point
- 154 · 154-156 °C(Solv: methanol (67-56-1))
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 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
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)
Aggregated GHS information provided per 38 reports by companies from 1 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
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Additional notes
DefinitionChEBI: Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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