아제티딘-3-일-메틸-카브…
Tert-butyl azetidin-3-yl(methyl)carbamate hydrochloride
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기본 정보
- CAS
943060-59-1- 표준 SMILES
CN(C(=O)OC(C)(C)C)C1CNC1.Cl- InChIKey
VASMJPUWUNCMPT-UHFFFAOYSA-N- 분자식
- C9H19ClN2O2
- 평균 분자량
- 222.71 g/mol
- 단동위원소 질량
- 222.1135055
이름 및 식별자
- 우선 이름
- Tert-butyl azetidin-3-yl(methyl)carbamate hydrochloride
- IUPAC
- tert-butyl N-(azetidin-3-yl)-N-methylcarbamate;hydrochloride
- 현지명
- 아제티딘-3-일-메틸-카브…
- 영어명
- Carbamic acid, N-3-azetidinyl-N-methyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
- 분자식
- C9H18N2O2.ClH
- 분자량
- 222.71
이름 및 동의어
tert-Butyl azetidin-3-yl(methyl)carbamate hydrochlorideRefChem:894620812-967-3943060-59-1tert-butyl N-(azetidin-3-yl)-N-methylcarbamate hydrochloride3-Boc-methylaminoazetidineMFCD129638433-(N-BOC-N-METHYLAMINO)AZETIDINE HYDROCHLORIDESCHEMBL2401902tert-butyl N-(azetidin-3-yl)-N-methylcarbamate;hydrochlorideTERT-BUTYL AZETIDIN-3-YLMETHYLCARBAMATE HCLtert-Butylazetidin-3-yl(methyl)carbamatehydrochloride
이름 더 보기
아제티딘-3-일-메틸-카브…Azetidin-3-yl-methyl-carb...3-[Boc-(MethylaMino)]azetidine HClt-Butyl azetidin-3-yl(methyl)carbamate hydrochlorideert-Butyl azetidin-3-yl(methyl)carbamate hydrochloridetert-Butyl azetidin-3-yl(methyl)carbamate (hydrochloride)-1tert-Butyl azetidin-3-ylmethylcarbamate hydrochloride - [B5481]tert-butyl 3-(MethylaMino)azetidine-3-carboxylate hydrochloride
tert-butyl azetidin-3-yl(methyl)carbamate hydrochloride salt3-(N-Boc-N-methylamino)azetidine HCl3-Boc-3-methylamino azetidine hydrochloridetert-Butyl a(Azetidin-3-yl)(methyl)carbamic acid tert-butyl ester hydrochloridetert-butyl azetidin-3-ylmethylcarbamate hydrochlorideDTXSID40704878VASMJPUWUNCMPT-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
943060-59-1- PubChem CID
- 53486267
- DTXSID
DTXSID40704878- EC Number
- 812-967-3
물성
구조 계산 물성보충 중
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 194
물리화학적 성질
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 고체
- 색상
- 하얀색
- InChI
- InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11(4)7-5-10-6-7;/h7,10H,5-6H2,1-4H3;1H
- InChIKey
- VASMJPUWUNCMPT-UHFFFAOYSA-N
- SMILES
- N1CC(N(C)C(OC(C)(C)C)=O)C1.Cl
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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, 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 4 reports by companies from 4 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 (50%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2 (75%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)
안전 데이터
- HS 번호
- 2933998090
관련 반응
2건
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