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Product No: CH0359

2-amino-3-methylbutanoic acid, 95%

Name: 2-amino-3-methylbutanoic acid
Brand: Chempure

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CAS Number

516-06-3

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About this item

IUPAC name	2-amino-3-methylbutanoic acid
canonical smiles	CC(C)C(C(=O)O)N
inchi	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
inchi key	KZSNJWFQEVHDMF-UHFFFAOYSA-N
molecular formula	C5H11NO2
synonyms	DL-Valine 516-06-3 2-Amino-3-methylbutanoic acid H-DL-Val-OH Valine, DL-
Compound Description	Valine is a branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. It has a role as a plant metabolite and a Daphnia magna metabolite. It is a branched-chain amino acid and an alpha-amino acid. It contains an isopropyl group. It is a conjugate base of a valinium. It is a conjugate acid of a valinate. DL-Valine is a natural product found in Drosophila melanogaster, Paris fargesii, and other organisms with data available.

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	-2.3
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	117.078978594 g/mol
Monoisotopic Mass:	117.078978594 g/mol
Topological Polar Surface Area:	63.3 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	90.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Cysteine

Alanine

Serine

Aspartic Acid

Leucine

Methionine

Valine

Threonine

l-Isoleucine

Isovaleric acid

Butyric Acid

Anthranilic acid

3-Methyl-2-oxobutanoic acid

Gamma-Aminobutyric Acid

3-Hydroxyanthranilic acid

hazard signal
hazard classes and categories	Not Classified
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 117 of 117 companies. For more detailed information, please visit ECHA C&L website. Not Classified Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.
hazards summary	Safe when used as a flavoring agent in food. May cause irritation.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-amino-3-methylbutanoic acid
canonical smiles	CC(C)C(C(=O)O)N
inchi	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
inchi key	KZSNJWFQEVHDMF-UHFFFAOYSA-N
molecular formula	C5H11NO2
synonyms	DL-Valine 516-06-3 2-Amino-3-methylbutanoic acid H-DL-Val-OH Valine, DL-
Compound Description	Valine is a branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. It has a role as a plant metabolite and a Daphnia magna metabolite. It is a branched-chain amino acid and an alpha-amino acid. It contains an isopropyl group. It is a conjugate base of a valinium. It is a conjugate acid of a valinate. DL-Valine is a natural product found in Drosophila melanogaster, Paris fargesii, and other organisms with data available.

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	-2.3
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	117.078978594 g/mol
Monoisotopic Mass:	117.078978594 g/mol
Topological Polar Surface Area:	63.3 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	90.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Cysteine

Alanine

Serine

Aspartic Acid

Leucine

Methionine

Valine

Threonine

l-Isoleucine

Isovaleric acid

Butyric Acid

Anthranilic acid

3-Methyl-2-oxobutanoic acid

Gamma-Aminobutyric Acid

3-Hydroxyanthranilic acid

hazard signal
hazard classes and categories	Not Classified
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 117 of 117 companies. For more detailed information, please visit ECHA C&L website. Not Classified Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.
hazards summary	Safe when used as a flavoring agent in food. May cause irritation.

Product No: CH0359

2-amino-3-methylbutanoic acid, 95%

Product No: CH0359

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CH0359

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?