기본 정보
- 표준 SMILES
CC(N)C(=O)O- InChIKey
QNAYBMKLOCPYGJ-UHFFFAOYSA-N- 분자식
- C3H7NO2
- 평균 분자량
- 89.09 g/mol
- 단동위원소 질량
- 89.04767846
개요
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.
이름 및 식별자
- 우선 이름
- DL-alanine
- IUPAC
- 2-aminopropanoic acid
이름 및 동의어
DL-ALANINEDL-2-Aminopropionic acidAlanine, DL-D,L-AlanineDL-2-Aminopropanoic acidNSC 7602AI3-08908EINECS 206-126-4CCRIS 85961FU7983T0UNSC-7602DL-ALANINE [FCC]
이름 더 보기
DTXSID6031255FEMA NO. 3818DLalphaAlanineD,LAlanineAlanine, DLDL2Aminopropanoic acidDL2Aminopropionic acidRefChem:589912
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- -3
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 61.8
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Solublein water
Slightly soluble (in ethanol)
Vapor Pressure0.00000011 [mmHg]
Physical Description
Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
White crystalline powder; odourless
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
화학 및 산업
용도 및 제조
UsesA non-essential amino acid; [Merck Index] Used as a flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
관련 반응
131건
연결된 노트
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