기본 정보
- CAS
125414-41-7- 표준 SMILES
CC(C)(C)OC(=O)NC(CO)CO- InChIKey
JHBKBRLRYPYBLP-UHFFFAOYSA-N- 분자식
- C8H17NO4
- 평균 분자량
- 191.22 g/mol
- 단동위원소 질량
- 191.11575802
이름 및 식별자
- 우선 이름
- N-Boc-serinol
- IUPAC
- tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate
- 현지명
- N-BOC-세리놀,97
- 영어명
- N-BOC-SERINOL, 97
- 분자식
- C8H17NO4
- 분자량
- 191.23
이름 및 동의어
N-Boc-serinol125414-41-7DTXSID20442706RefChem:363503DTXCID20393527625-706-1tert-Butyl (1,3-dihydroxypropan-2-yl)carbamateTert-butyl N-(1,3-dihydroxypropan-2-yl)carbamatet-Butyl 1,3-dihydroxypropan-2-ylcarbamateMFCD002702132-(Boc-amino)-1,3-propanediolCarbamic acid, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
이름 더 보기
N-BOC-세리놀,97Boc-ser.olBoc-L-Ser-OLN-BOC-SERINOL, 97N-Boc-serinol 97%tert-Butyl (1,3-dihydroxypropan-2-yl)
tert-butyl 1,3-dihydroxypropan-2-ylcarbamatetert-butyl N-[2-hydroxy-1-(hydroxymethyl)ethyl]carbamateDS-18493SY020146EN300-84185Boc-serinolboc-ser-olN -Boc-serinol
데이터베이스 식별자
- CAS
125414-41-7- PubChem CID
- 10631565
- DTXSID
DTXSID20442706- EC Number
- 625-706-1
- Nikkaji
- J785.784E
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 78.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 160
물리화학적 성질
- 녹는점
- 85 · 85-89 °C
- 끓는 점
- 363 · 363.0±32.0 °C(Predicted)
- 밀도
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 11.6 · 11.60±0.46(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
- InChIKey
- JHBKBRLRYPYBLP-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC(CO)CO
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.;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 CategoriesEye Irrit. 2A (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2924190090
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사77 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Alfa Chemistry+1-5166625404 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
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德州博腾精细化工有限公司[email protected]
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Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
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