N-팔미토일 글리신

N-Palmitoylglycine

HCID 151008

기본 정보

CAS: 158305-64-7
표준 SMILES: CCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIKey: KVTFEOAKFFQCCX-UHFFFAOYSA-N
분자식: C18H35NO3
평균 분자량: 313.5 g/mol
단동위원소 질량: 313.26169398

개요

N-hexadecanoylglycine is an N-acylglycine in which the acyl group is specified as hexadecanoyl (palmitoyl). It has a role as a marine metabolite and a human metabolite. It is a N-acylglycine 16:0 and a fatty amide. It is functionally related to a hexadecanoic acid. It is a conjugate acid of a N-hexadecanoylglycinate.

이름 및 식별자

우선 이름: N-Palmitoylglycine
IUPAC: 2-(hexadecanoylamino)acetic acid
현지명: N-팔미토일 글리신
영어명: Palmitoyl glycine
분자식: C18H35NO3
분자량: 313.48

이름 및 동의어

N-Palmitoylglycine2441-41-02-(hexadecanoylamino)acetic acidN-Palmitoyl glycineN-HEXADECANOYLGLYCINEElmiric acidN-(1-Oxohexadecyl)glycineN-hexadecanoyl-glycineM6V3RIU5KIGlycine, N-(1-oxohexadecyl)-CHEBI:39540N-Ethanoyl-Hexadecanamide

이름 더 보기

N-팔미토일글리신팔미토일글라이신Palmtoyl GlycineN-Palmitoylglycine D312-palMitaMidoacetic acidPalGly >=98% (HPLC), solidPalmitoyl-glycine≥ 99% (TLC)Hexadecanoylaminoacetic acid

DTXSID40179163RefChem:927307DTXCID70101654627-023-4Palmitoylglycinepalmitoyl-glycinepalmitoyl glycinePALGLY

데이터베이스 식별자

CAS: 158305-64-7、2441-41-0
PubChem CID: 151008
DTXSID: DTXSID40179163
ChEMBL: CHEMBL226117
ChEBI: CHEBI:39540
UNII: M6V3RIU5KI
EC Number: 627-023-4
Nikkaji: J598.695H

물성

구조 계산 물성

XLogP: 6.5
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 16
무거운 원자 수: 22
형식 전하: 0
복잡도: 280

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amino acids [FA0805]

Cosmetics · 3건

Cosmetic ingredients (Palmitoyl Glycine) -> CIR (Cosmetic Ingredient Review)

Hair conditioning; Cleansing

Personal care product -> emollient

Physical DescriptionSolid

물리화학적 성질

녹는점: 121 °C · 121 °C(Solv: acetone (67-64-1))
끓는 점: 491.8 · 491.8±28.0 °C(Predicted)
밀도: 0.96 · 0.960±0.06 g/cm3(Predicted)
증기압: 0.001 Pa · 0.001Pa at 85℃
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 10 mg/mL · DMSO: >10mg/mL
산도 계수 (pKa): 3.59 · 3.59±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
화장품 원료 기능: 세척제헤어 컨디셔닝
InChI: InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
InChIKey: KVTFEOAKFFQCCX-UHFFFAOYSA-N
SMILES: C(O)(=O)CNC(=O)CCCCCCCCCCCCCCC
LogP: 5.85 at · 5.85 at 25℃

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 12-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21392

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...Palmitoyl Glycine...

Safe for use in cosmetics, with qualifications

안전 데이터

wgk: 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesCIR ingredient: Palmitoyl Glycine

Use ClassificationCosmetics -> Hair conditioning; Cleansing

상·하류 제품 정보

하류 제품

N-도데카노일글리신

공급사100 곳

上海利卡斯实业有限公司19821976800 · [email protected]

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

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

화합물 노트

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