N-Phenylglycine (HCID 66025)

개요

N-phenylglycine is a glycine carrying an N-phenyl substituent. It has a role as an allergen.

이름 및 식별자

우선 이름: N-Phenylglycine
IUPAC: 2-anilinoacetic acid
영어명: Anilinoacetic acid
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

N-Phenylglycine103-01-5Anilinoacetic acidCHEBI:5547737YJW036TPDTXSID2047016RefChem:830994DTXCID0027016203-070-22-(phenylamino)acetic acid2-anilinoacetic acidGlycine, phenyl-

이름 더 보기

PHENYL GLYCINEN-PGCPH-GLY-OHDL-Phg-OHN-Ph-Gly-OHAKOS B003332N-PhenylgcineJACS-103-01-5N-PHENYLGLYCIN

(Phenylamino)acetic acidGlycine, N-phenyl-N-phenyl glycineN-Phenylaminoacetic acidMFCD00014009n-phenyl-glycineBIDD:GT0243AI3-09070

데이터베이스 식별자

CAS: 103-01-5
PubChem CID: 66025
DTXSID: DTXSID2047016
ChEMBL: CHEMBL3306206
ChEBI: CHEBI:55477
UNII: 37YJW036TP
EC Number: 203-070-2
Nikkaji: J9.337H

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

LogP0.62

Collision Cross Section134.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0027806]

물리화학적 성질

녹는점: 121 · 121-123 °C (lit.)
끓는 점: 273.17 °C · 273.17°C (rough estimate)
밀도: 1.2023 · 1.2023 (rough estimate)
굴절률: 1.581 · 1.5810 (estimate)
저장 조건: Store at RT.
용해도: DMSO(적게), 메탄올(약간)에 용해됨
물리적 상태: 고운 가루
산도 계수 (pKa): 1.83 · 1.83, 4.39(at 25℃)
색상: 황토색에서 황갈색까지
수용성: 적당히 용해됨
Merck: 14 · 14,7292
BRN: 509838 · 509838
주요 응용: 펩타이드 합성
InChI: 1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKey: NPKSPKHJBVJUKB-UHFFFAOYSA-N
SMILES: OC(=O)CNc1ccccc1
NIST: N-Phenylglycine(103-01-5)
EPA: Glycine, N-phenyl- (103-01-5)

화학적 성질

ochre to yellow-brown fine powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29224995
risk_code: 36/37/38
safety_code: 22-24/25-44-35-28-7-4
위험 등급: IRRITANT
기존화학 물질: 2010-3-4629
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationGlycine, N-phenyl-: ACTIVE

응용 분야

용도N-Phenylglycine is a derivative of Glycine (G615990). N-Phenylglycine is also sometimes coupled with Glycidyl methacrylate to create a surface active comonomer that promotes adhesive bonding of materials to hard tooth tissues.

상·하류 제품 정보

상류 원료

하류 제품

N-Methyl-N-phenylcarbamoyl chloride L-alpha-Cyclohexylglycine 1,3-Diphenyl-2-thiohydantoin, 95%Glycine, N-phenyl-, methyl ester, hydrochloride (1:1)2-([(4-Methoxyphenyl)sulfonyl]anilino)acetic acid 1,4-Diphenyl-1H-pyrrole-3-carbonitrile

공급사50 곳

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]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Syntechem Co.,Ltd[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

추가 설명

정의ChEBI: A glycine carrying an N-phenyl substituent.

연결된 노트

불러오는 중…

N-Phenylglycine

기본 정보

개요