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기본 정보
- CAS
330794-35-9- 표준 SMILES
CC(C)(C)OC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
CUDCEJRRWNIPDL-UHFFFAOYSA-N- 분자식
- C18H28BNO4
- 평균 분자량
- 333.2 g/mol
- 단동위원소 질량
- 333.21113878
이름 및 식별자
- 우선 이름
- 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester
- IUPAC
- tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
- 현지명
- 4-((N-BOC-아미노)메틸)페닐보론산피나콜에스테르
- 영어명
- 4-((N-Boc-amino)methyl)phenylboronic acid pinacol ester
- 분자식
- C18H28BNO4
- 분자량
- 333.23
이름 및 동의어
4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTERRefChem:516947690-900-5330794-35-9tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER4-(N-Boc-aminomethyl)phenylboronic acid pinacol esterTert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamateMFCD06409942tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate4-(N-Boc-aminomethyl)phenylboronic acid, pinacol estertert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzylcarbamate
이름 더 보기
4-((N-BOC-아미노)메틸)페닐보론산피나콜에스테르4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINA4-(N-BOC-AMINOMETHYL)PHENYLBORONIC ACID PICOL ESTER[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid4-[(tert-Butoxycarbonylamino)methyl]phenylboronic acid pinacol ester, 97%,tert-Butyl N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate 96%
tert-butyl N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate4-(N-boc-aminomethyl)phenylboronic acid,pinacol estertert-butyl n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]carbamatetert-butyl N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamateCUDCEJRRWNIPDL-UHFFFAOYSA-NSCHEMBL169651DTXSID203922774-((N-BOC-AMINO)METHYL)PHENYLBORONICACIDPINACOLESTER
데이터베이스 식별자
- CAS
330794-35-9- PubChem CID
- 3415442
- DTXSID
DTXSID20392277- EC Number
- 690-900-5
- Nikkaji
- J3.750.238C
물성
구조 계산 물성보충 중
- 극성 표면적
- 56.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 434
물리화학적 성질
- 끓는 점
- 452 · 452.0±38.0 °C(Predicted)
- 밀도
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 12.16 · 12.16±0.46(Predicted)
- InChI
- InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21)
- InChIKey
- CUDCEJRRWNIPDL-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- risk_code
- 22
- hazard_code
- Xn
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
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