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2-(2-Methyl-1H-imidazol-1-yl)propanoic acid , CAS No.782414-84-0

COA

Cas Number: 782414-84-0
Molecular Weight: 154.17
PubChem CID: 16788092

In stock

Item Number

P616212

Grouped product items
SKU	Size	Availability	Price	Qty
P616212-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
P616212-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$340.90

Basic Description

Synonyms	2-(2-methyl-1H-imidazol-1-yl)propanoic acid \| 782414-84-0 \| 2-(2-methylimidazol-1-yl)propanoic acid \| starbld0017134 \| 1H-imidazole-1-acetic acid, alpha,2-dimethyl- \| SCHEMBL10688674 \| DTXSID90588509 \| AKOS000143645 \| AKOS022183787 \| LS-09424 \| CS-0331062 \| EC-000.1987
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(2-methylimidazol-1-yl)propanoic acid
INCHI	InChI=1S/C7H10N2O2/c1-5(7(10)11)9-4-3-8-6(9)2/h3-5H,1-2H3,(H,10,11)
InChIKey	ZXVMXMYFWOQFOM-UHFFFAOYSA-N
Smiles	CC1=NC=CN1C(C)C(=O)O
Isomeric SMILES	CC1=NC=CN1C(C)C(=O)O
Alternate CAS	782414-84-0
PubChem CID	16788092
Molecular Weight	154.17

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	154.170 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.074 Da
Monoisotopic Mass	154.074 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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