Acetylglycine

AC-GLY-OH · ACETURIC ACID · 2-Acetamidoacetic acid · N-Ac-Gly-OH · N-Aceylglycine · ACETAMIDOACETIC ACID · AC GLY · NSC 7605

식별자 및 물리적 특성

CAS No.	543-24-8
분자식	C4H7NO3
평균 분자량	117.1 g/mol
단동위원소 질량	117.04259308 g/mol
SMILES	CC(=O)NCC(=O)O
InChIKey	OKJIRPAQVSHGFK-UHFFFAOYSA-N
PubChem CID	10972
ChEMBL	CHEMBL289004
ChEBI	CHEBI:40410
EC No.	208-839-6
DTXSID	DTXSID2043793

XLogP	-1.2
극성 표면적	66.4
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	8
형식 전하	0
복잡도	110
물질 분류	Nitrogen Compounds -> Amino Carboxylic Acids
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Boiling point
용해도	26.3 mg/mL at 15 °C26.3g/L
녹는점	207 - 209 °C207-209 °C (lit.)
Physical Description	Solid[Merck Index] White powder[Alfa Aesar MSDS]
Collision Cross Section	133 Å² [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]132.3 Å² [M+Na]+
끓는 점	218.88°C (rough estimate)
밀도	1.3886 (rough estimate)
굴절률	1.4540 (estimate)
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	3.669(at 25℃)
물리적 상태	결정성 분말
색상	하얀색
용해도	2.7g/100mL(15℃)
Merck	14,80
BRN	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)

white to light yellow crystal powde

GHS 분류	This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (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.
규제 정보	Chemical: Glycine, N-acetyl-Glycine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
유해성 요약	May cause irritation[Alfa Aesar MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (25%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29241900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	22-24/25-36-26
위험 등급	IRRITANT
저장 분류	11 - Combustible Solids