7-Ethyltryptophol

HCID 198231
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Substructure searchFind similar structures

Basic information

CAS
41340-36-7
Standard SMILES
CCc1cccc2c(CCO)c[nH]c12
InChIKey
UVSDNCAZVSQJQA-UHFFFAOYSA-N
Molecular formula
C12H15NO
Average molar mass
189.25 g/mol
Monoisotopic mass
189.1153641

Names & identifiers

Preferred name
7-Ethyltryptophol
IUPAC
2-(7-ethyl-1H-indol-3-yl)ethanol
English name
7-Ethyl tryptophol
Molecular formula
C12H15NO
Molecular weight
189.25

Names & synonyms

41340-36-77-Ethyltryptophol7-Ethyl-1H-indole-3-ethanol1H-Indole-3-ethanol, 7-ethyl-2-(7-Ethyl-1H-indol-3-yl)-ethanol7-Ethyl-3-(2-hydroxyethyl)indoleCCRIS 5406DTXSID1057741RAK-801JJ4LB8KM8OBRN 1074382UNII-JJ4LB8KM8O
Show more names
7-ET3-(7-ETHYLINDOLE)ETHANOL7-EthylC:C&B54forEtodolac3-oxovalerate7-Ethylchromol7-Ethylresorcinol
DTXCID2031530EC 431-020-1RefChem:106079609-910-82-(7-ethyl-1H-indol-3-yl)ethanol7-Ethyl tryptophol7-Ethyl-3-indoleethanolEtodolac EP Impurity H

Database identifiers

CAS
41340-36-7
PubChem CID
198231
DTXSID
DTXSID1057741
ChEMBL
CHEMBL3182675
UNII
JJ4LB8KM8O
EC Number
431-020-1、609-910-8
Nikkaji
J357.718J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
36 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
44 · 44-45°C
Boiling point
377.8 · 377.8±27.0 °C(Predicted)
Density
1.146 · 1.146±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
14.98 · 14.98±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)

Warning

Hazard information

Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22803；Status: Cease Manufacture Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2715
Hazard Classes and Categories · 4 items

Acute Tox. 4 (100%)；STOT RE 2 (50%)；Aquatic Chronic 2 (50%)

Acute Tox. 4 (100%)；STOT RE 2 (87.5%)；Aquatic Chronic 2 (100%)

Acute toxicity - category 4；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 4 *；STOT RE 2 *；Aquatic Chronic 2

Regulatory information

Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22803；Status: Cease Manufacture Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2715

Safety data

wgk
WGK 2
rtecs
NL8512200
ridadr
3077
hs_code
2933998090
risk_code
22-48/22-51/53
Signal word
Warning

Chemistry & industry

Applications

Uses7-Ethyltryptophol (Etodolac EP Impurity H) is a key intermediate in the preparation of the non-steroidal anti-inflammatory drug Etodolac.

UsesKey intermediate in the preparation of the non-steroidal anti-inflammatory drug Etodolac.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
武汉鹏垒生物科技有限公司15871464247 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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