Basic information
- CAS
106202-39-5- Standard SMILES
COC(=O)c1cn2c3c(cccc13)CCC2- InChIKey
UHXYXGAGZRDGPY-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- methyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylate
- IUPAC
- methyl 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylate
- English name
- 4H-PYRROLO[3,2,1-IJ]QUINOLINE-1-CARBOXYLIC ACID,5,6-DIHYDRO-,METHYL ESTER
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
106202-39-5methyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylate4h-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid,5,6-dihydro-,methyl esterMethyl 5,6-dihydro-4H-pyrrolo-[3,2,1-ij]quinoline-1-carboxylatemethyl 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylateAGN-PC-00NML0DTXSID90547030AKOS025401732AC-25012methyl5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylateMethyl 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-6-carboxylate5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid methyl ester
Database identifiers
- CAS
106202-39-5- PubChem CID
- 13699255
- DTXSID
DTXSID90547030
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 30 · 30-40℃
- Boiling point
- 388.3 · 388.3±22.0 °C(Predicted)
- Density
- 1.26 · 1.26
Chemistry & industry
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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