CAS 2208-08-4 Ethyl butyrimidate hydrochloride (HCID 12235055)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2208-08-4
표준 SMILES: CCCC(=N)OCC.Cl
InChIKey: YGBFFMMKLWVKGU-UHFFFAOYSA-N
분자식: C6H14ClNO
평균 분자량: 151.63 g/mol

개요

See also: Butyrimidic acid, ethyl ester, hydrochloride (preferred).

이름 및 식별자

우선 이름: Ethyl butyrimidate hydrochloride
IUPAC: ethyl butanimidate;hydrochloride
현지명: 에틸부티리미데이트염산염
영어명: Ethyl butyrimidate hydrochloride
분자식: C6H14ClNO
분자량: 151.63446

이름 및 동의어

Ethyl butyrimidate hydrochloride2208-08-4Ethyl butanimidate hydrochlorideEthyl butanecarboximidate hydrochlorideMFCD01737439ethyl butanimidate;hydrochlorideEthyl butyrimidate HClEthylbutyrimidatehydrochlorideethylbutyrimidate hydrochlorideButanimidic acid, hydrochlorideButyrimidic acid, hydrochlorideSCHEMBL1965409

이름 더 보기

에틸부티리미데이트염산염Crisaborole Impurity 96Telmisartan Impurity 55 Hydrochloridebutyrimidicacid,ethylester,hydrochlorideEthyl butyrimidate hydrochloride >=97.0% (AT)

ethyl butaneimidate hydrochlorideEthyl-butyroimidate hydrochlorideYGBFFMMKLWVKGU-UHFFFAOYSA-N1-ethoxybutylideneammonium;chlorideNSC97334NSC-97334AKOS040767543EN300-1478224

데이터베이스 식별자

CAS: 2208-08-4
PubChem CID: 12235055
EC Number: 629-535-3

물성

구조 계산 물성

극성 표면적: 33.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 70.9

물리화학적 성질

녹는점: 74 · 74-79 °C
저장 조건: 2 · 2-8°C
BRN: 3679641 · 3679641
InChI: 1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H
InChIKey: YGBFFMMKLWVKGU-UHFFFAOYSA-N
SMILES: Cl.CCCC(=N)OCC

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.