Name: clorhidrato de ácido (dietilamino)acético - ≥97% , CAS No.24376-01-0
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acids
Alternative Parents	Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-amino acid - Tertiary amine - Tertiary aliphatic amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
Descripción	This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	167.630 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	167.071 Da
Monoisotopic Mass	167.071 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	89.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CCN(CC)CC(=O)O.Cl
IUPAC Name	2-(diethylamino)acetic acid;hydrochloride
InChIKey	BGWSMDYVVVJGBB-UHFFFAOYSA-N
INCHI	1S/C6H13NO2.ClH/c1-3-7(4-2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
Isómeros SMILES	CCN(CC)CC(=O)O.Cl
Peso molecular	167.6
Reaxy-Rn	3687738
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3687738&ln=

clorhidrato de ácido (dietilamino)acético - ≥97% , CAS No.24376-01-0

Specifications