ethyl 3,5-dimethyl-1H-indole-2-carboxylate

HCID 5111582
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Basic information

CAS
16423-76-0
Standard SMILES
CCOC(=O)c1[nH]c2ccc(C)cc2c1C
InChIKey
SOBSEOUZZDHRIZ-UHFFFAOYSA-N
Molecular formula
C13H15NO2
Average molar mass
217.26 g/mol
Monoisotopic mass
217.11027872

Names & identifiers

Preferred name
ethyl 3,5-dimethyl-1H-indole-2-carboxylate
IUPAC
ethyl 3,5-dimethyl-1H-indole-2-carboxylate
English name
ethyl 3,5-dimethyl-1H-indole-2-carboxylate
Molecular formula
C13H15NO2
Molecular weight
217.26

Names & synonyms

ethyl 3,5-dimethyl-1H-indole-2-carboxylate16423-76-01H-Indole-2-carboxylic acid, 3,5-dimethyl-, ethyl esterMFCD004541543,5-Dimethyl-1H-indole-2-carboxylic acid ethyl esterSCHEMBL7688090DTXSID50408451SOBSEOUZZDHRIZ-UHFFFAOYSA-NALBB-010169STK506264AKOS004119614Ethyl 3,5-dimethyl-2-indolecarboxylate
Show more names
LS-03446ethyl3,5-dimethyl-1H-indole-2-carboxylateCS-0324231G83185F368019

Database identifiers

CAS
16423-76-0
PubChem CID
5111582
DTXSID
DTXSID50408451
Nikkaji
J1.357.132E

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
42.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
131 · 131-133 °C
Boiling point
357.1 · 357.1±37.0 °C(Predicted)
Density
1.15 · 1.150±0.06 g/cm3(Predicted)
pka
15.49 · 15.49±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers11 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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