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N-(2-Bromo-3-methyl-1-oxobutyl)glycine

N-(2-Bromo-3-methyl-1-oxobutyl)glycine structure

CAS No:
6940-46-1
Formula:
C7H12BrNO3
Chemical Name:
N-(2-Bromo-3-methyl-1-oxobutyl)glycine
Synonyms:
Glycine,N-(2-bromo-3-methyl-1-oxobutyl)-;Glycine,N-(2-bromo-3-methyl-1-oxobutyl)-,(±)-;N-(2-Bromo-3-methyl-1-oxobutyl)glycine;NSC 163138;NSC 60132;52574-83-1

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N-(2-Bromo-3-methyl-1-oxobutyl)glycine Basic Attributes

Molecular Weight：

238.08

Exact Mass：

238.08

EC Number：

230-082-5

NSC Number：

163138|60132

Characteristics

PSA：

66.4 Å²

Density：

1.501±0.06 g/cm3

Melting Point：

139-141 °C

Boiling Point：

406.5±30.0 °C(Predicted)

PKA：

3.16±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:238.08
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:237.00006
Monoisotopic Mass:237.00006
Topological Polar Surface Area:66.4
Heavy Atom Count:12
Complexity:182
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-Bromo-3-methyl-1-oxobutyl)glycine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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