기본 정보
- CAS
147252-84-4- 표준 SMILES
CC(CO)NC(=O)OC(C)(C)C- InChIKey
PDAFIZPRSXHMCO-UHFFFAOYSA-N- 분자식
- C8H17NO3
- 평균 분자량
- 175.23 g/mol
- 단동위원소 질량
- 175.1208434
이름 및 식별자
- 우선 이름
- tert-butyl N-(1-hydroxypropan-2-yl)carbamate
- IUPAC
- tert-butyl N-(1-hydroxypropan-2-yl)carbamate
- 현지명
- N-BOC-D/L-알라니놀
- 영어명
- N-BOC-D/L-ALANINOL
- 분자식
- C8H17NO3
- 분자량
- 175.23
이름 및 동의어
tert-butyl N-(1-hydroxypropan-2-yl)carbamateRefChem:895372626-862-3147252-84-4tert-Butyl (1-hydroxypropan-2-yl)carbamateN-Boc-DL-alaninolN-tert-Butyloxycarbonyl DL-AlaninolN-Boc-DL-2-amino-1-propanolMFCD04973335Carbamic acid, N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl esterTERT-BUTYL 1-HYDROXYPROPAN-2-YLCARBAMATEN-BOC-D/L-ALANINOL
이름 더 보기
N-BOC-D/L-알라니놀Boc-DL-Ala-olBoc-DL-propanemol1-Boc-D/L-AlaninolIfosfamide Impurity 25N-BOC-2-Amino-1-propanol 95%N-Boc-DL-2-amino-1-propanol 95%
N-BOC-2-Amino-1-propanol(2-Hydroxy-1-methylethyl)-carbamic Acid 1,1-Dimethylethyl EsterN-tert-Butoxycarbonyl-L-alaninol(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanolCarbamic acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl esterN-((1S)-2-hydroxy-isopropyl)(tert-butoxy)carboxamide2-(boc-amino)-1-propanolSCHEMBL69002
데이터베이스 식별자
- CAS
147252-84-4- PubChem CID
- 545701
- DTXSID
DTXSID60337965- EC Number
- 626-862-3
- Nikkaji
- J1.556.537C
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 151
물리화학적 성질
- 녹는점
- 52 · 52-59 °C
- 끓는 점
- 276.4 ℃ · 276.4℃
- 밀도
- 1.025 · 1.025
- 인화점
- 118 · 118-120 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.11 · 12.11±0.46(Predicted)
- 색상
- 회백색
- InChI
- 1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
- InChIKey
- PDAFIZPRSXHMCO-UHFFFAOYSA-N
- SMILES
- CC(CO)NC(=O)OC(C)(C)C
화학적 성질
Off-white Solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P210, P240, P241, P264, P270, P280, P301+P316, P321, P330, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 CategoriesFlam. Sol. 2 (100%)；Acute Tox. 3 (100%)
안전 데이터
- wgk
- 2
- ridadr
- UN 2926 4.1/PG 3
- HS 번호
- 2924190090
- risk_code
- 11-25
- hazard_code
- F,T
- safety_code
- 45
- 포장분류
- Ⅲ
- 위험 등급
- 4.1, 6.1
- 위험 참고 사항
- Flammable/Toxic
- Hazard Classifications
- Acute Tox. 3 OralFlam. Sol. 2
- 스토리지 클래스
- 4.1B - Flammable solid hazardous materials
화학 및 산업
응용 분야
용도N-BOC-D/L-ALANINOL is used in the preparation of heterocyclic compounds, as integrase inhibiting antiviral agents.
상·하류 제품 정보
상류 원료
공급사82 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
泰州葛林美克医药科技有限公司15366892466
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东隆玉达医药科技有限公司0534-2152677 17862520650 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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