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3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone structure

CAS No:
58905-32-1
Formula:
C8H13N3O
Chemical Name:
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Synonyms:
2-Butanone,3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-;3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone;3,3-Dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;1,2,4-Triazol-1-ylpinacolin;1-(1,2,4-Triazol-1-yl)-3,3-dimethyl-2-butanone;103026-71-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone Basic Attributes

Molecular Weight：

167.20800

Exact Mass：

167.21

EC Number：

261-489-6

UNII：

824RRR96HJ

DSSTox ID：

DTXSID80207651

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

0.89330

Density：

1.09g/cm3

Melting Point：

62-64 °C

Boiling Point：

283.3ºC

Refractive Index：

1.536

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone Use and Manufacturing

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

HWG 1608-triazole-pinacoline (M18) is a known environmental transformation product of Tebuconazole.

Computed Properties

Molecular Weight:167.21
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:167.105862047
Monoisotopic Mass:167.105862047
Topological Polar Surface Area:47.8
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Latest News
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