N-시아노메탄이미드산에틸에스테르

Methanimidic acid, N-cyano-, ethyl ester

HCID 9920370

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4428-98-2
표준 SMILES: CCOC=NC#N
InChIKey: MWIGGUZSIJZLJM-UHFFFAOYSA-N
분자식: C4H6N2O
평균 분자량: 98.1 g/mol
단동위원소 질량: 98.04801281

이름 및 식별자

우선 이름: Methanimidic acid, N-cyano-, ethyl ester
IUPAC: ethyl N-cyanomethanimidate
현지명: N-시아노메탄이미드산에틸에스테르
영어명: N-Cyanomethanimidic acid ethyl ester
분자식: C4H6N2O
분자량: 98.1

이름 및 동의어

4428-98-2Methanimidic acid, N-cyano-, ethyl esterethyl N-cyanomethanecarboximidateDTXSID101276477RefChem:811559DTXCID501707006819-900-7ethyl cyanoimidoformateethyl N-cyanoformimidateethyl N-cyanomethanimidaten-cyanomethanimidic acid ethyl esterMFCD21332874

이름 더 보기

N-시아노메탄이미드산에틸에스테르(Ethoxymethylene)cyanamide(Z)-Ethyl N-cyanoformimidate(Z)-Ethyl N-cyanoformimidate(E)-(ethyl N-cyanoMethenecarboxiMidate)

methanimidic acid, cyano-, ethyl ester(Z)-(ETHYL N-CYANOMETHANIMIDATE)ethyl (1E)-N-cyanomethanimidateN-cyanoformimidic acid ethyl esterethoxymethylenecyanamideethyl cyanomethanimidateethoxymethylene cyanamideethyl N-cyano-formimidate

데이터베이스 식별자

CAS: 4428-98-2
PubChem CID: 9920370
DTXSID: DTXSID101276477
EC Number: 819-900-7
Nikkaji: J1.457.607J

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 45.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 99.5

물리화학적 성질

끓는 점: 116 ℃ · 116℃
밀도: 0.94 · 0.94
인화점: 24 ℃ · 24℃
산도 계수 (pKa): -3.5 · -3.50±0.50(Predicted)
물리적 상태: solid
InChI: 1S/C4H6N2O/c1-2-7-4-6-3-5/h4H,2H2,1H3/b6-4-
InChIKey: MWIGGUZSIJZLJM-XQRVVYSFSA-N
SMILES: CCO\C=N/C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.