디에틸[[(6-메틸-2-피리딜)아미노]메틸렌]말로네이트

Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate

HCID 83264CAS 13250-95-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC
InChIKey: IAXFBMUDERBERN-UHFFFAOYSA-N
분자식: C14H18N2O4
평균 분자량: 278.3 g/mol
단동위원소 질량: 278.12665706

이름 및 식별자

우선 이름: Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate
IUPAC: diethyl 2-[[(6-methyl-2-pyridinyl)amino]methylidene]propanedioate
현지명: 디에틸[[(6-메틸-2-피리딜)아미노]메틸렌]말로네이트
영어명: diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate
분자식: C14H18N2O4
분자량: 278.3

이름 및 동의어

EINECS 236-233-1DIETHYL [[(6-METHYL-2-PYRIDYL)AMINO]METHYLENE]MALONATEDiethyl (((6-methyl-2-pyridyl)amino)methylene)malonateDTXSID00157604NSC 169694RefChem:586969DTXCID9080095236-233-113250-95-8Diethyl (6-methyl-2-pyridylaminomethylene)malonatediethyl 2-[[(6-methylpyridin-2-yl)amino]methylidene]propanedioateMFCD00023437

이름 더 보기

디에틸[[(6-메틸-2-피리딜)아미노]메틸렌]말로네이트Diethyl {[(6-methylpyridin-2-yl)-amino]methylene}malonateDIETHYL 2-(((6-METHYL-2-PYRIDINYL)AMINO)METHYLENE)MALONATEdiethyl 2-(((6-methylpyridin-2-yl)amino)methylene)malonateDiethyl{[(6-methyl-2-pyridinyl)amino]methylene}propanedioatediethyl 2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioate2-[[(6-methyl-2-pyridyl)amino]methylene]malonic acid diethyl ester2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioic acid diethyl ester[[(6-Methyl-2-pyridinyl)amino]methylene]propanedioic acid diethyl ester

1,3-diethyl 2-{[(6-methylpyridin-2-yl)amino]methylidene}propanedioatePropanedioic acid, 2-[[(6-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl esterdiethyl 2-((6-methylpyridin-2-ylamino)methylene)malonate2-[(6-Methyl-pyridin-2-ylamino)-methylene]-malonic acid diethyl esterdiethyl 2-{[(6-methyl-2-pyridinyl)amino]methylene}malonatediethyl {[(6-methylpyridin-2-yl)amino]methylidene}propanedioatepropanedioic acid, [[(6-methyl-2-pyridinyl)amino]methylene]-, diethyl esterSR-01000089342

데이터베이스 식별자

CAS: 13250-95-8
PubChem CID: 83264
DTXSID: DTXSID00157604
ChEMBL: CHEMBL3212039
EC Number: 236-233-1
Nikkaji: J213.777A

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 77.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 348

물리화학적 성질

녹는점: 105.5 · 105.5-105.7 °C
끓는 점: 357 · 357.0±42.0 °C(Predicted)
밀도: 1.187 · 1.187±0.06 g/cm3(Predicted)
용해도: 클로로포름에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 4.11 · 4.11±0.10(Predicted)
색상: 옅은 노란색에서 옅은 베이지까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도Diethyl (6-methyl-2-pyridylaminomethylene)malonate is a useful reagent for pharmaceutical synthesis. It is used in the preparation of substituted quinoline carboxyguanidines which functions as an antidiabetic agents.