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기본 정보
- CAS
161513-47-9- 표준 SMILES
CC(C)(C)OC(=O)NC[C@H]1CO1- InChIKey
ZBBGKXNNTNBRBH-LURJTMIESA-N- 분자식
- C8H15NO3
- 평균 분자량
- 173.21 g/mol
- 단동위원소 질량
- 173.10519334
이름 및 식별자
- 우선 이름
- (S)-N-Boc-2,3-epoxypropylamine
- IUPAC
- tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate
- 현지명
- (S)-1-(TERT-부톡시카르보닐)-2,3-옥시라닐메틸아민
- 영어명
- (S)-1-(TERT-BUTOXYCARBONYL)-2,3-OXIRANYLMETHYLAMINE
- 분자식
- C8H15NO3
- 분자량
- 173.21
이름 및 동의어
(S)-N-Boc-2,3-epoxypropylamine1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate1,1-Dimethylethyl N-((2S)-2-oxiranylmethyl)carbamateRefChem:408194605-257-8161513-47-9(s)-1-(tert-butoxycarbonyl)-2,3-oxiranylmethylamineMFCD06200796tert-Butyl (S)-(oxiran-2-ylmethyl)carbamateCarbamic acid, N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl estertert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamatetert-butyl N-{[(2S)-oxiran-2-yl]methyl}carbamate
이름 더 보기
(S)-1-(TERT-부톡시카르보닐)-2,3-옥시라닐메틸아민(S)-N-Boc-oxirane-2-methanamineCarbamic Acid, [(2s)-Oxiranylmetert-butyloxiran-2-ylmethylcarbamateT-BUTYL (S)-(OXIRANYLMETHYL)CARBAMATE-Butyl (S)-(Oxiranylmethyl)carbamate(S)-tert-Butyl(oxiran-2-ylmethyl)carbamate(S)-1-(t-Butoxycarbonyl)-2,3-oxiranylamine
(s)-tert-butyl oxiran-2-ylmethylcarbamate(S)-1-BOC-2,3-OxiranylamineMFCD11111972(S)-1-(tert-Butoxycarbonyl)-2,3-oxiranylaminestarbld0018309Carbamic acid, [(2S)-oxiranylmethyl]-, 1,1-dimethylethyl esterGlycerophosphoric acid disodiumSCHEMBL2750096
데이터베이스 식별자
- CAS
161513-47-9- PubChem CID
- 10080852
- DTXSID
DTXSID701218168- EC Number
- 605-257-8
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 50.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 174
물리화학적 성질
- 녹는점
- 48 · 48-50 °C
- 끓는 점
- 262.9 · 262.9±13.0 °C(Predicted)
- 밀도
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 12.45 · 12.45±0.46(Predicted)
- 물리적 상태
- solid
- InChI
- InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
- InChIKey
- ZBBGKXNNTNBRBH-LURJTMIESA-N
- SMILES
- C(OC(C)(C)C)(=O)NC[C@H]1CO1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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 (100%)；Eye Irrit. 2 (97.4%)
안전 데이터
- wgk
- 3
- HS 번호
- 2921301090
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(S)-N-Boc-2,3-epoxypropylamine can be used:To functionalize detonation nanodiamonds with NH2 functional group to enhance their optical properties.In the synthesis of poly(ethylene glycol) (PEG) based block copolymers, which are further used in the preparation of micelles loaded with mRNA for intracellular mRNA delivery.
공급사35 곳
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
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