CAS 1188-37-0 N-acetyl-L-glutamic acid (HCID 70914)

이름 및 식별자

우선 이름: N-acetyl-L-glutamic acid
IUPAC: (2S)-2-acetamidopentanedioic acid
현지명: 아세틸글루타믹애씨드
영어명: N-Acetyl-L-glutamic acid
분자식: C7H11NO5
분자량: 189.17

이름 및 동의어

N-Acetyl-L-glutamic acid1188-37-0acetylglutamic acidAcetyl-L-glutamic acidN-acetyl-L-glutamateAcetyl glutamic acid(2S)-2-acetamidopentanedioic acidAc-Glu-OHL-N-Acetylglutamic acidL-Glutamic acid, N-acetyl-Glutamic acid, N-acetyl-, L-N-Ac-Glu-OH

이름 더 보기

아세틸글루타믹애씨드N-Acetylglutamic acidn-acetylglutamateNAcGluN-AC-L-GLUAc-L-Glu-OHl-glutamicaciN-Ac-L-Glu-OH

DTXSID3046534MA61H539YZCHEBI:17533N-acetyl-L-glutaminic acidCHEMBL1234751FEMA NO. 4752N-ACETYL-S-GLUTAMIC ACID(2S)-2-(acetylamino)pentanedioic acid

데이터베이스 식별자

CAS: 1188-37-0、5817-08-3
PubChem CID: 70914
DTXSID: DTXSID3046534
ChEMBL: CHEMBL1234751
ChEBI: CHEBI:17533
UNII: MA61H539YZ
Nikkaji: J37.497K

물성

구조 계산 물성

XLogP: -1.8
극성 표면적: 104 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 225

실험 및 물리화학적 성질

Solubility · 3건

52 mg/mL

Soluble

Sparingly soluble (in ethanol)

Melting Point · 2건

199

199 - 201 °C

Physical Description · 2건

Solid

White powder or white crystals; Savoury, cooked roasted

Collision Cross Section · 5건

141 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

139.63 Å² [M-H]- [CCS Type: DT; Method: stepped-field]；149.63 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]；139.03 Å² [M+H]+ [CCS Type: DT; Method: stepped-field]

141.7 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

143.3 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；142.4 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；136.9 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

142.5 Å² [M+Na]+；143.5 Å² [M-2H+Na]-；137 Å² [M-H]-

물리화학적 성질

녹는점: 194 · 194-196 °C(lit.)
끓는 점: 324.41 °C · 324.41°C (rough estimate)
밀도: 1.4119 · 1.4119 (rough estimate)
FEMA: 4752 · 4752 | N-ACETYL GLUTAMATE
굴절률: -15 ° · -15 ° (C=1, H2O)
저장 조건: 2 · 2-8°C
용해도: 36 g/l · 36g/l(약)
산도 계수 (pKa): 3.45 · 3.45±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색
수용성: 2.7 g/100mL · 물에 용해 2.7g/100mL(20℃)
JECFA Number: 2269 · 2269
BRN: 1727473 · 1727473
주요 응용: 펩타이드 합성
화장품 원료 기능: 피부 컨디셔닝
InChI: 1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N
SMILES: CC(=O)N[C@@H](CCC(O)=O)C(O)=O
LogP: -2.131 · -2.131 (est)
NIST: N-acetyl-l-glutamic acid(1188-37-0)
EPA: L-Glutamic acid, N-acetyl- (1188-37-0)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 15 of 16 companies (only 6.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 15 of 16 reports by companies.；There is 1 notification provided by 1 of 16 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044；Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366

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

Hazard Classes and CategoriesNot Classified

독성 정보

Toxicity Summary · 2건

The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Glutamic Acid

Safe for use in cosmetics, with qualifications

규제 정보

Regulatory Information · 2건

Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044；Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366

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

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: LZ9725000
HS 번호: 29241900
safety_code: 24/25
기존화학 물질: KE-00118
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsLiver；Placenta

Cellular LocationsMitochondria

용도 및 제조

UsesCIR ingredient: Acetyl Glutamic Acid

Use Classification · 3건

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Skin conditioning

General Manufacturing Information · 2건

L-Glutamic acid, N-acetyl-: ACTIVE

Glutamic acid, N-acetyl-: INACTIVE

응용 분야

용도N-Acetyl-L-glutamic Acid is the N-Acetyl analogue of the non-essential amino acid, L-glutamic acid (G596960). N-Acetyl-L-glutamic Acid activates carbamoyl phosphate synthetase in the urea cycle.

공급사100 곳

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]

南京一化生物科技有限公司13429882898; 13429882898

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

화합물 노트

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아세틸글루타믹애씨드

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