3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride

HCID 53401129

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 904316-92-3
표준 SMILES: C1CC2COCC1N2.Cl
InChIKey: QCOHPFLNQAVPJE-UHFFFAOYSA-N
분자식: C6H12ClNO
평균 분자량: 149.62 g/mol
단동위원소 질량: 149.06074168

이름 및 식별자

우선 이름: 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride
IUPAC: 3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
영어명: 3-Oxa-8-azabicyclo[3.2.1]octane, hydrochloride (1:1)
분자식: C6H12ClNO
분자량: 149.62

이름 및 동의어

3-OXA-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE3-Oxa-8-azabicyclo(3.2.1)octane hydrochlorideRefChem:504590815-661-8904316-92-33-Oxa-8-aza-bicyclo[3.2.1]octane hydrochloride3-OXA-8-AZABICYCLO[3.2.1]OCTANE HCLMFCD184325623-oxa-8-azabicyclo[3.2.1]octane;hydrochloride3-Oxa-8-azabicyclo[3.2.1]octane, hydrochloride (1:1)SCHEMBL18386DTXSID70694814

이름 더 보기

(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane hydrochloride3-Oxa-8-aza-bicyclo[3.2.1]octane3-OXA-8-AZABICYCLO8-oxa-3-aza-bicyclo3-Oxa-8-aza-bicyclo[3.2.1]octane HCl3-O×a-8-azabicyclo[3.2.1]octane hydrochloride

QCOHPFLNQAVPJE-UHFFFAOYSA-NEX-A1204AKOS015844255CS-W003900GS-4364PB11357SY0181763-Oxa-8-azabicyclo[3.2.1]octane, HCl

데이터베이스 식별자

CAS: 904316-92-3
PubChem CID: 53401129
DTXSID: DTXSID70694814
EC Number: 815-661-8

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: 9
형식 전하: 0
복잡도: 84.5

물리화학적 성질

저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H
InChIKey: QCOHPFLNQAVPJE-UHFFFAOYSA-N
SMILES: C12COCC(CC1)N2.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.