Ethyl indoline-6-carboxylate

HCID 34175918CAS 350683-40-8
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Basic information

Standard SMILES
CCOC(=O)c1ccc2c(c1)NCC2
InChIKey
WFXBELNNLRIRRD-UHFFFAOYSA-N
Molecular formula
C11H13NO2
Average molar mass
191.23 g/mol
Monoisotopic mass
191.09462866

Names & identifiers

Preferred name
Ethyl indoline-6-carboxylate
IUPAC
ethyl 2,3-dihydro-1H-indole-6-carboxylate
English name
ethyl indoline-6-carboxylate
Molecular formula
C11H13NO2
Molecular weight
191.23

Names & synonyms

Ethyl indoline-6-carboxylate350683-40-8ethyl 2,3-dihydro-1H-indole-6-carboxylateMFCD09954776Ethylindoline-6-carboxylateSCHEMBL3872066DTXSID10652938AKOS006312266DS-2550FS-3698SB66106CS-0018748
Show more names
1H-Indole-6-carboxylic acid, 2,3-dihydro-, ethyl ester
EN300-713864FT-07487561h-indole-6-carboxylic acid,SCHEMBL29968115SY105821DB-069109F2314462,3-dihydro-1h-indole-6-carboxylic acid ethyl ester

Database identifiers

CAS
350683-40-8
PubChem CID
34175918
DTXSID
DTXSID10652938
Nikkaji
J1.515.829H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Boiling point
328.2 · 328.2±31.0 °C(Predicted)
Density
1.131 · 1.131±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
4.27 · 4.27±0.20(Predicted)
Appearance
White to off-white Solid
HS Code
29339900 · 29339900

Safety & regulation

Safety data

hs_code
29339900

Chemistry & industry

Upstream & downstream products

Suppliers26 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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