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1-Methylethyl 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate

1-Methylethyl 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate structure

CAS No:
39731-05-0
Formula:
C19H28N2O4
Chemical Name:
1-Methylethyl 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate
Synonyms:
1H-Indole-2-carboxylic acid,4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-,1-methylethyl ester;1-Methylethyl 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate;SDZ 21009;Carpindolol;Sandoz 21-009;(±)-SDZ 21009;101489-48-9;116721-68-7

Description

4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylic acid propan-2-yl ester is an isopropyl ester and an indolyl carboxylate ester.

1-Methylethyl 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate Basic Attributes

Molecular Weight：

348.43700

Exact Mass：

348.44

DSSTox ID：

DTXSID3049041

Characteristics

PSA：

83.58000

XLogP3：

3.25180

Density：

1.15g/cm3

Boiling Point：

529.8ºC

Flash Point：

274.2ºC

Refractive Index：

1.567

Computed Properties

Molecular Weight:348.4
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:348.20490738
Monoisotopic Mass:348.20490738
Topological Polar Surface Area:83.6
Heavy Atom Count:25
Complexity:436
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methylethyl 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate

Description
Basic Attributes
Characteristics
Computed Properties
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