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tert-butyl 5-methylindole-1-carboxylate

tert-butyl 5-methylindole-1-carboxylate structure

CAS No:
129822-49-7
Formula:
C14H17NO2
Chemical Name:
tert-butyl 5-methylindole-1-carboxylate
Synonyms:
tert-butyl 5-methyl-1-indolecarboxylate; 1H-Indole-1-carboxylic acid,5-methyl-,1,1-dimethylethyl ester; tert-Butyl 5-methylindole-1-carboxylate; 5-methylindole-1-carboxylic acid tert-butyl ester; tert-butyl 5-methyl-1H-indole-1-carboxylate; 1-N-(tert-butoxycarbonyl)-5-methylindol; N-boc-5-methylindole; 1-(tert-Butoxycarbonyl)-5-methylindole; 1,1-Dimethylethyl 5-methyl-1H-indole-1-carboxylate;Expand
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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tert-butyl 5-methylindole-1-carboxylate Basic Attributes

Molecular Weight：

231.29000

Exact Mass：

231.125928785

DSSTox ID：

DTXSID60462680

HScode：

2933990090

Characteristics

PSA：

31.23000

XLogP3：

3.73290

Density：

1.056 g/mL at 25ºC(lit.)

Boiling Point：

208-209ºC(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.5410(lit.)

Vapor Pressure：

0.000106mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

hazard class code：

R22

safety instructions：

S36/37

Marks：

Precautionary statement(s)：

P280; P301 + P310

Hazard Statements：

H301; H317

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:231.29
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:231.125928785
Monoisotopic Mass:231.125928785
Topological Polar Surface Area:31.2
Heavy Atom Count:17
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-(TERT-BUTOXYCARBONYL)-5-METHYLINDOLE& KEK

CAS No.: 129822-49-7

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