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Aminoisobutyric acid

Aminoisobutyric acid structure

CAS No:
62-57-7
Formula:
C4H9NO2
Chemical Name:
Aminoisobutyric acid
Synonyms:
Alanine,2-methyl-;2-Methylalanine;AIB;α-Aminoisobutyric acid;α-Methylalanine;Aminoisobutyric acid;2-Amino-2-methylpropanoic acid;2-Aminoisobutyric acid;α,α-Dimethylglycine;α-Aminoisobutanoic acid;2-Amino-2-methylpropionic acid;2,2-Dimethylglycine;NSC 16590;21: PN: WO2005055994 PAGE: 50 claimed sequence;18389-23-6;765258-64-8
Categories:
Pharmaceutical Intermediates > Antineoplastics

Description

NSC 16590 inhibits the production of endogenous ethylene in the cotyledonary segments of cocklebur.

Solid

2-aminoisobutyric acid is a rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays. It derives from a propionic acid and an isobutyric acid.

Aminoisobutyric acid Basic Attributes

Molecular Weight：

103.12

Exact Mass：

103.12

BRN：

506496

EC Number：

200-544-0

UNII：

1E7ZW41IQU

NSC Number：

16590

DSSTox ID：

DTXSID0058772

HScode：

29224995

Characteristics

PSA：

63.3

XLogP3：

-2.8

Appearance：

White Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

335 °C

Boiling Point：

204.4ºC at 760 mmHg

Flash Point：

77.4±22.6 °C

Refractive Index：

1.464

Water Solubility：

SOLUBLE

Storage Conditions：

Store at RT.

Collision Cross Section：

123.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|129 Å² [M-H]-

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

AY7000000

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 61 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-aminoisobutyric acid

Aminoisobutyric acid Use and Manufacturing

Methods of Manufacturing

Dissolve the acetone cyanohydrin in methanol and pass ammonia to saturation under cooling. After the methanol was distilled off, water and hydrobromic acid were added, and the reaction was carried out under reflux for 2 hours, and then the hydrobromic acid was distilled off under reduced pressure. The residue is dissolved in methanol, pyridine is added until the Congo red is neutral, and the free ion 2-aminoisobutyric acid is separated out, and the yield is about 30%.

Uses

2-Methylalanineinotransferases which can be used as a diagnostic tool to predict type II diabetes.

Manufacturing Info：

Alanine, 2-methyl-: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]

Computed Properties

Molecular Weight:103.12
XLogP3:-2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:103.063328530
Monoisotopic Mass:103.063328530
Topological Polar Surface Area:63.3
Heavy Atom Count:7
Complexity:87.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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