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기본 정보
- CAS
149649-58-1- 표준 SMILES
CC(C)(C)OC(=O)NCC1CCCN1- InChIKey
DPJPFGHHTJLWQQ-UHFFFAOYSA-N- 분자식
- C10H20N2O2
- 평균 분자량
- 200.28 g/mol
- 단동위원소 질량
- 200.15247789
이름 및 식별자
- 우선 이름
- Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate
- 현지명
- 2-Boc-아미노메틸피롤리딘
- 영어명
- 2-Boc-aminomethylpyrrolidine
- 분자식
- C10H20N2O2
- 분자량
- 200.28
이름 및 동의어
Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl esterRefChem:871020801-503-5149649-58-12-Boc-aminomethyl-pyrrolidinetert-Butyl (pyrrolidin-2-ylmethyl)carbamate2-Boc-aminomethylpyrrolidine2-(Boc-aminomethyl)pyrrolidinetert-butyl N-(pyrrolidin-2-ylmethyl)carbamate2-N-Boc-AminomethylpyrrolidineMFCD06658352SCHEMBL145280
이름 더 보기
2-Boc-아미노메틸피롤리딘2-(BOC-AMINOMETHYL)PYRROLIDINE-HCl2-tert-Butoxycarbonyl-aminomethylpyrrolidinetert-butyl 2-aMino-2-(pyrrolidin-2-yl)acetate(2-PYRROLIDINYLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTERtert-butyl pyrrolidin-2-ylMethylcarbaMate hydrochloride
Carbamic acid, N-(2-pyrrolidinylmethyl)-, 1,1-dimethylethyl esterAB25788tert-butyl pyrrolidin-2-ylmethylcarbamate2-(Boc-aminomethyl)pyrrolidine, AldrichCPRrac.-2-(n-tert-butoxycarbonylaminomethyl)pyrrolidine(S)-tert-butyl pyrrolidin-2-ylmethylcarbamateAMY43952-Butanone,
데이터베이스 식별자
- CAS
149649-58-1- PubChem CID
- 21834643
- DTXSID
DTXSID30618632- EC Number
- 801-503-5
물성
구조 계산 물성보충 중
- XLogP
- 1.1
- 극성 표면적
- 50.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 199
물리화학적 성질
- 끓는 점
- 303.9 · 303.9±15.0 °C(Predicted)
- 밀도
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 12.58 · 12.58±0.46(Predicted)
- InChI
- 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
- InChIKey
- DPJPFGHHTJLWQQ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)NCC1CCCN1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, 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.；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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (50%)；STOT SE 3 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933998090
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사78 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
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