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(±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine

(±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine structure

CAS No:
7154-27-0
Formula:
C8H14BrNO3
Chemical Name:
(±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine
Synonyms:
(±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine;(1)-N-(2-Bromo-4-methyl-1-oxopentyl)-glycine;Einecs 230-503-2;PTUKJDOWJCFIBV-UHFFFAOYSA-N;Glycine, N-(2-bromo-4-methyl-1-oxopentyl)-;2-[(2-bromo-4-methylpentanoyl)amino]acetic acid

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(±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine Basic Attributes

Molecular Weight：

252.11

Exact Mass：

252.11

EC Number：

2305032

NSC Number：

163093|73474

Characteristics

PSA：

66.4 Å²

Density：

1.439±0.06 g/cm3(Predicted)

Melting Point：

85-86 °C

Boiling Point：

413.1±30.0 °C(Predicted)

PKA：

3.18±0.10(Predicted)

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:252.11
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:251.01571
Monoisotopic Mass:251.01571
Topological Polar Surface Area:66.4
Heavy Atom Count:13
Complexity:194
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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