DL-alanine

HCID 602CAS 302-72-7

基本情報

標準SMILES: CC(N)C(=O)O
InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
分子式: C3H7NO2
平均分子量: 89.09 g/mol
単同位体質量: 89.04767846

概要

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.

名称と識別子

優先名称: DL-alanine
IUPAC: 2-aminopropanoic acid

名称と別名

DL-ALANINEDL-2-Aminopropionic acidAlanine, DL-D,L-AlanineDL-2-Aminopropanoic acidNSC 7602AI3-08908EINECS 206-126-4CCRIS 85961FU7983T0UNSC-7602DL-ALANINE [FCC]

名称をさらに表示

DTXSID6031255FEMA NO. 3818DLalphaAlanineD,LAlanineAlanine, DLDL2Aminopropanoic acidDL2Aminopropionic acidRefChem:589912

データベース識別子

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

物性

構造計算による物性

XLogP: -3
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 61.8

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Solublein water

Slightly soluble (in ethanol)

Vapor Pressure0.00000011 [mmHg]

Physical Description · 2 件

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

White crystalline powder; odourless

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 3 件

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

化学と産業

用途と製造

UsesA non-essential amino acid; [Merck Index] Used as a flavoring agent or adjuvant; [FDA]

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index