α-(Methylamino)isobutyric acid
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α-(Methylamino)isobutyric acid
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CAS No:
2566-34-9
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Formula:
C5H11NO2
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Chemical Name:
α-(Methylamino)isobutyric acid
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Synonyms:
Alanine,N,2-dimethyl-;N,2-Dimethylalanine;N-Methyl-α-aminoisobutyric acid;α-(Methylamino)isobutyric acid;2-(N-Methylamino)isobutyric acid;N-Methyl-2-amino-isobutyric acid;N-Methyl-2-methylalanine;2-(Methylamino)isobutyric acid;2-Methyl-2-(methylamino)propanoic acid
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CAS No:
Description
WHITE CRYSTALLINE POWDER
Solid
Alpha-(methylamino)isobutyric acid is a non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group. It has a role as a human urinary metabolite. It is an alanine derivative, a non-proteinogenic alpha-amino acid and a secondary amino compound. It derives from an isobutyric acid.
Characteristics
49.33000
-0.10
Solid
1.0±0.1 g/cm3
272 °C (sublm) @ Solvent: Ethanol
192.5±23.0 °C at 760 mmHg
70.2±22.6 °C
1.442
−20°C
Safety Information
NONH for all modes of transport
3
36
26
Xi
P305 + P351 + P338
H319
|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 39 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:117.15
XLogP3:-2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:49.3
Heavy Atom Count:8
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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