8-OXA-3-AZABICYCLO[3.2.1]옥탄수소염

8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochloride

HCID 21983536

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54745-74-3
표준 SMILES: C1CC2CNCC1O2.Cl
InChIKey: XADOTNAXKKFKDY-UHFFFAOYSA-N
분자식: C6H12ClNO
평균 분자량: 149.62 g/mol
단동위원소 질량: 149.0607417

이름 및 식별자

우선 이름: 8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochloride
IUPAC: 8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
현지명: 8-OXA-3-AZABICYCLO[3.2.1]옥탄수소염
영어명: 8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE
분자식: C6H11NO.ClH
분자량: 149.62

이름 및 동의어

8-Oxa-3-aza-bicyclo[3.2.1]octane hydrochloride8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochlorideRefChem:548347802-217-354745-74-38-OXA-3-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE8-oxa-3-azabicyclo[3,2,1]octane hydrochloride8-oxa-3-azabicyclo[3.2.1]octane;hydrochlorideMFCD179264568-OXA-3-AZABICYCLO[3.2.1]OCTANE HCL8-oxa-3-azabicyclo[3.2.1]octanehydrochlorideMFCD09800611

이름 더 보기

8-OXA-3-AZABICYCLO[3.2.1]옥탄수소염1021838-Oxa-3-azabic8-Oxa-3-azabicycLo[3.2.1]octane hydrochL8-OXA-3-AZABICYCLO[3.2.1]8-Oxa-3-azabicyclooctaneHCl8-Oxa-3-azabicyclo[3.2.1]octane, HCl8-oxa-3-azabicyclo[3.2.1]octane HCl salt8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLO8-OXA-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE

8-oxa-3-azabicyclo(3.2.1)octane hydrochloride8-Oxa-3-azabicyclo[3.2.1]octane, hydrochlorideSCHEMBL16513DTXSID90621162XADOTNAXKKFKDY-UHFFFAOYSA-NSBB056375AKOS005166896CS-W005626

데이터베이스 식별자

CAS: 54745-74-3
PubChem CID: 21983536
DTXSID: DTXSID90621162
EC Number: 802-217-3

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

물리화학적 성질

녹는점: 197 · 197-199 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
InChI: InChI=1/C6H11NO.ClH/c1-2-6-4-7-3-5(1)8-6;/h5-7H,1-4H2;1H/t5-,6+;
InChIKey: XADOTNAXKKFKDY-KNCHESJLNA-N
SMILES: [C@@]12([H])O[C@@]([H])(CC1)CNC2.Cl |&1:0,3,r|

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2934999090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.