Methyl N-(diphenylmethylidene)glycinate

HCID 563248CAS 81167-39-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey
PQTOLHHWLUCKSB-UHFFFAOYSA-N
분자식
C16H15NO2
평균 분자량
253.29 g/mol
단동위원소 질량
253.11027872

이름 및 식별자

우선 이름
Methyl N-(diphenylmethylidene)glycinate
IUPAC
methyl 2-(benzhydrylideneamino)acetate
영어명
N-(Diphenylmethylene)glycine methyl ester
분자식
C16H15NO2
분자량
253.3

이름 및 동의어

DTXSID30340284Methyl N-(diphenylmethylidene)glycinateRefChem:1089607DTXCID5029136581167-39-7N-(Diphenylmethylene)glycine methyl esterMethyl 2-((diphenylmethylene)amino)acetatemethyl n-(diphenylmethylene)glycinateDiphenylmethylene-Glycine Methyl estermethyl 2-(benzhydrylideneamino)acetateMFCD06661218methyl 2-[(diphenylmethylidene)amino]acetate
이름 더 보기
DPM-Gly-OMeLIXC-011 CellMethyl diphenylmethyleneglycinateMethyl 3-aza-4,4-diphenylbut-3-enoatMethyl 3-aza-4,4-diphenylbut-3-enoateBenzophenoneimine glycine Methyl Estermethyl2-(diphenylmethyleneamino)acetate
Methyl [(diphenylmethylene)amino]acetate(Benzhydrylideneamino)acetic acid methyl esterFD1094GS-4225n-diphenylmethylideneglycine methyl esterMethyl2-((diphenylmethylene)amino)acetatePD197006(Benzhydrylideneamino) acetic acid methyl ester

데이터베이스 식별자

CAS
81167-39-7
PubChem CID
563248
DTXSID
DTXSID30340284
EC Number
695-130-3
Nikkaji
J418.607I

물성

구조 계산 물성

XLogP
3.5
극성 표면적
38.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
19

물리화학적 성질

녹는점
42 · 42-44C
끓는 점
342.8 · 342.8±34.0 °C(Predicted)
밀도
1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건
2 · Sealed in dry,2-8°C
산도 계수 (pKa)
2.22 · 2.22±0.50(Predicted)
물리적 상태
고체

화학적 성질

Off-White to Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；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

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2925199590

화학 및 산업

응용 분야

용도N-(Diphenylmethylene)glycine Methyl Ester (cas# 81167-39-7) is a compound useful in organic synthesis.

상·하류 제품 정보

공급사50 곳

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

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