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Tracazolate

Tracazolate structure

CAS No:
41094-88-6
Formula:
C16H24N4O2
Chemical Name:
Tracazolate
Synonyms:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid,4-(butylamino)-1-ethyl-6-methyl-,ethyl ester;Tracazolate;ICI 136753
Categories:
Analytical Chemistry > Standard

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Description

4-(butylamino)-1-ethyl-6-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester is a pyrazolopyridine.

Tracazolate Basic Attributes

Molecular Weight：

304.39

Exact Mass：

304.39

EC Number：

255-214-9

UNII：

NH0HPL3U1T

DSSTox ID：

DTXSID3046956

HScode：

2933990090

Characteristics

PSA：

XLogP3：

3.22130

Appearance：

white solid

Density：

1.17g/cm3

Melting Point：

73.5-75 °C

Boiling Point：

419.5ºC at 760 mmHg

Flash Point：

207.5ºC

Refractive Index：

1.578

Water Solubility：

0.1 M HCl: soluble

Storage Conditions：

Desiccate at RT

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

4-butylamine-1-ethyl-6-methyl-pyrazolo(3,4)pyridine-5-carboxylic acid ethyl ester

Computed Properties

Molecular Weight:304.39
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:304.18992602
Monoisotopic Mass:304.18992602
Topological Polar Surface Area:69
Heavy Atom Count:22
Complexity:366
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes