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Bromobutide

Bromobutide structure

CAS No:
74712-19-9
Formula:
C15H22BrNO
Chemical Name:
Bromobutide
Synonyms:
Butanamide,2-bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)-;2-Bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;S 47;S 47 (pesticide);Bromobutide;S 4347;Sumiherb;2-Bromo-3,3-dimethyl-N-(α,α-dimethylbenzyl)butyramide;2-Bromo-N-(α,α-dimethylbenzyl)-3,3-dimethylbutanamide;81038-10-0
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A monocarboxylic acid amide having a 2-phenylpropan-2-yl substituent attached to the amide nitrogen and a 1-bromo-2,2-dimethylpropyl group attached to the carbonyl carbon.

Bromobutide is a monocarboxylic acid amide having a 2-phenylpropan-2-yl substituent attached to the amide nitrogen and a 1-bromo-2,2-dimethylpropyl group attached to the carbonyl carbon. It has a role as a herbicide. It is a monocarboxylic acid amide and an organobromine compound.

Bromobutide Basic Attributes

Molecular Weight：

312.25

Exact Mass：

312.25

EC Number：

616-129-6

DSSTox ID：

DTXSID2058176

HScode：

2924299015

Characteristics

PSA：

29.1

XLogP3：

4.23840

Density：

1.209g/cm3

Melting Point：

180.1 °C

Boiling Point：

412ºC at 760 mmHg

Flash Point：

203ºC

Refractive Index：

1.524

Water Solubility：

1.13e-05 M

Storage Conditions：

0-6°C

Drug Information

MeSH Entry Terms：

(RS)-2-bromo-N-(alpha,alpha-dimethylbenzyl)-3,3-dimethylbutyramide

Computed Properties

Molecular Weight:312.24
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:311.08848
Monoisotopic Mass:311.08848
Topological Polar Surface Area:29.1
Heavy Atom Count:18
Complexity:287
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes