(+-)-Aspartic Acid

HCID 424CAS 1783-96-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(CC(=O)O)C(=O)O
InChIKey: CKLJMWTZIZZHCS-UHFFFAOYSA-N
분자식: C4H7NO4
평균 분자량: 133.1 g/mol
단동위원소 질량: 133.0375077

개요

Aspartic acid is an alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. It has a role as a fundamental metabolite. It is a polar amino acid, an alpha-amino acid and a C4-dicarboxylic acid. It contains a carboxymethyl group. It is a conjugate acid of an aspartate and an aspartate(1-).

이름 및 식별자

우선 이름: (+-)-Aspartic Acid
IUPAC: 2-aminobutanedioic acid

이름 및 동의어

(+-)-Aspartic acidRefChem:905505DL-ASPARTIC ACID617-45-82-aminobutanedioic acidDL-Aminosuccinic acidDL-Asparagic acidAspartic acid, DL-DL-Asp-OHAcid D,L-aspartH-DL-Asp-OH(+/-)-2-Aminosuccinic acid

이름 더 보기

(+/-)-Aspartic AcidDL-ASPARTIC ACID (3-13C)L-ASPARTIC-4-13C ACIDD-Asparagic acid28XF4669EPNSC620336NSC-141379Butanedioic acid, (S)-

데이터베이스 식별자

CAS: 1783-96-6、56-84-8、617-45-8
PubChem CID: 424
DTXSID: DTXSID30859003
ChEBI: CHEBI:22660
UNII: 28XF4669EP
EC Number: 210-513-3
Nikkaji: J1.278E

물성

구조 계산 물성

XLogP: -2.8
극성 표면적: 101 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

DrugsPharmaceuticals

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 97.9% (138 of 141) of all reports.

Not Classified

Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: DL-Aspartic acid

Status: Active Update: 24-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5880

Other Safety InformationIMAP assessments - DL-Aspartic acid: Environment tier I assessment

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Aspartic acid.

Hazard Classes and CategoriesNot Classified

화학 및 산업

용도 및 제조

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

관련 반응

31건

반응 기록 만들기

HRID 103522 반응식

HRID 103522반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161551 반응식

HRID 161551반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164204 반응식

HRID 164204반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 169958 반응식

HRID 169958반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 192316 반응식

HRID 192316반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 215384 반응식

HRID 215384반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 283798 반응식

HRID 283798반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 314949 반응식

HRID 314949생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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