DL-alanine

HCID 602CAS 302-72-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(N)C(=O)O
InChIKey
QNAYBMKLOCPYGJ-UHFFFAOYSA-N
Molecular formula
C3H7NO2
Average molar mass
89.09 g/mol
Monoisotopic mass
89.04767846

Overview

Alanine is an alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. It has a role as a fundamental metabolite. It is functionally related to a propionic acid. It is a conjugate base of an alaninium. It is a conjugate acid of an alaninate. It is a tautomer of an alanine zwitterion.

Names & identifiers

Preferred name
DL-alanine
IUPAC
2-aminopropanoic acid

Names & synonyms

DL-ALANINEDL-2-Aminopropionic acidAlanine, DL-D,L-AlanineDL-2-Aminopropanoic acidNSC 7602AI3-08908EINECS 206-126-4CCRIS 85961FU7983T0UNSC-7602DL-ALANINE [FCC]
Show more names
DTXSID6031255FEMA NO. 3818DLalphaAlanineD,LAlanineAlanine, DLDL2Aminopropanoic acidDL2Aminopropionic acidRefChem:589912

Database identifiers

CAS
302-72-7、338-69-2、56-41-7
PubChem CID
602
DTXSID
DTXSID6031255
ChEBI
CHEBI:16449
UNII
1FU7983T0U
EC Number
206-126-4
Nikkaji
J1.276I

Properties

Computed structural properties

XLogP
-3
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Solublein water

Slightly soluble (in ethanol)

Vapor Pressure0.00000011 [mmHg]
Physical Description · 2 items

Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

White crystalline powder; odourless

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 98.9% (275 of 278) of all reports.

Not Classified

Aggregated GHS information provided per 278 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: DL-Alanine

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 20-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24843

Other Safety InformationIMAP assessments - DL-Alanine: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

UsesA non-essential amino acid; [Merck Index] Used as a flavoring agent or adjuvant; [FDA]
Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Related reactions

131 records
New reaction record

Linked notes

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