Acetylglycine (HCID 10972)

개요

N-acetylglycine is an N-acylglycine where the acyl group is specified as acetyl. It has a role as a human metabolite. It is a N-acylglycine and a N-acetyl-amino acid. It is a conjugate acid of a N-acetylglycinate.

이름 및 식별자

우선 이름: Acetylglycine
IUPAC: 2-acetamidoacetic acid
영어명: N-Acetylglycine
분자식: C4H7NO3
분자량: 117.1

이름 및 동의어

N-ACETYLGLYCINE543-24-82-Acetamidoacetic acidAceturic acidAcetamidoacetic acidAcetylglycineGlycine, N-acetyl-Acetylaminoacetic acidAcetylglycocollEthanoylaminoethanoic acidU2UT4677KRacetylaminoacetate

이름 더 보기

N-Ac-Gly-OHN-AceylglycineAC GLYNSC 7605AC-GLYCINEAKOS B029711

NSC-7605DTXSID2043793CHEBI:40410acetylglycinateRefChem:162741DTXCID0023793208-839-6Ac-Gly-OH

데이터베이스 식별자

CAS: 543-24-8
PubChem CID: 10972
DTXSID: DTXSID2043793
ChEMBL: CHEMBL289004
ChEBI: CHEBI:40410
UNII: U2UT4677KR
EC Number: 208-839-6
Nikkaji: J2.645J

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

Solubility26.3 mg/mL at 15 °C

Melting Point207 - 209 °C

Physical Description · 2건

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

물리화학적 성질

녹는점: 207 · 207-209 °C (lit.)
끓는 점: 218.88 °C · 218.88°C (rough estimate)
밀도: 1.3886 · 1.3886 (rough estimate)
굴절률: 1.454 · 1.4540 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 26.3 g/L · 26.3g/L
산도 계수 (pKa): 3.669 · 3.669(at 25℃)
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 2.7 g/100mL · 2.7g/100mL(15℃)
Merck: 14 · 14,80
BRN: 774114 · 774114
주요 응용: 임상 시험
InChI: 1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey: OKJIRPAQVSHGFK-UHFFFAOYSA-N
SMILES: CC(=O)NCC(O)=O
NIST: Glycine, N-acetyl-(543-24-8)
EPA: Glycine, N-acetyl- (543-24-8)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Glycine, N-acetyl-

Glycine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29241900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing InformationGlycine, N-acetyl-: ACTIVE

상·하류 제품 정보

하류 제품

Ethyl imidazole-4-carboxylate L-(-)-페닐알라닌 3-ACETAMIDOCOUMARIN 디미나젠아세트산 Ethyl acetamidoacetate METHYL N-ACETYLGLYCINATE 아세트아마이드 (Z)-4-(4-Chlorobenzylidene)-2-methyloxazol-5(4H)-one (Z)-4-(2,4-Dimethoxybenzylidene)-2-methyloxazol-5(4H)-one (4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one (Z)-2-Methyl-4-(4-Methylbenzylidene)Oxazol-5(4H)-One 5(4H)-Oxazolone,4-[(dimethylamino)methylene]-2-methyl-(9CI)

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北瑞泰医药科技有限公司15335880183

추가 설명

정의ChEBI: An N-acylglycine where the acyl group is specified as acetyl.

연결된 노트

불러오는 중…

Acetylglycine

기본 정보

개요