CAS 178312-62-4 1,4-Oxazepane hydrochloride (HCID 23090214)

기본 정보

CAS: 178312-62-4
표준 SMILES: C1CNCCOC1.Cl
InChIKey: LJRCWNIWOVZLKS-UHFFFAOYSA-N
분자식: C5H12ClNO
평균 분자량: 137.61 g/mol
단동위원소 질량: 137.06074168

이름 및 식별자

우선 이름: 1,4-Oxazepane hydrochloride
IUPAC: 1,4-oxazepane;hydrochloride
현지명: 호모모르폴린염산염
영어명: Homomorpholine hydrochloride
분자식: C5H12ClNO
분자량: 137.61

이름 및 동의어

1,4-oxazepane hydrochlorideRefChem:416990681-585-5178312-62-4homomorpholine hydrochloride[1,4]oxazepane hydrochlorideMFCD026830701,4-oxazepane;hydrochlorideHOMOMORPHOLINE HCL1,4-Oxazepine, hexahydro-, hydrochloride (1:1)1,4-Oxazepine, hexahydro-, hydrochlorideSCHEMBL58640

이름 더 보기

호모모르폴린염산염1,4-oxazepane HClHexahydro-1,4-oxazepine HClHomomorpoline Hydrochloridehomomorpholine hydrychloride[1,4]Oxazepane hydrochclorideHomomorpholinehydrochloride,98%

CS-B1101F1905-64721,4-Oxazepan hydrochlorideALBB-0086421,4-oxazepane,hydrochloride1,4-oxazepanehydrochloridehomomorpholine-hydrochlorideArabinocytidine hydrochloride

데이터베이스 식별자

CAS: 178312-62-4
PubChem CID: 23090214
DTXSID: DTXSID70630494
EC Number: 681-585-5

물성

구조 계산 물성

극성 표면적: 21.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 47.3

물리화학적 성질

녹는점: 156 · 156-154°C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
수용성: 물에 약간 용해됩니다.
InChI: 1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H
InChIKey: LJRCWNIWOVZLKS-UHFFFAOYSA-N
SMILES: Cl.C1CNCCOC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H304 (11.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P260, P261, P264, P264+P265, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (88.9%)

안전 데이터

wgk: WGK 3
ridadr: 2921
risk_code: 10-20/21-34-65-41-37/38
hazard_code: Xi
safety_code: 16-26-36/37/39-39
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Homomorpholine Hydrochloride is a useful synthetic intermediate. It is used to prepare homomorpholine oxazolidinone with antibacterial activities. It is also used to synthesize A2A adenosine receptor antagonists for the treatment of Parkinson's disease.