2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide

HCID 56965734

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1083326-46-8
표준 SMILES: CC1(C)OB(c2cnn(CC(N)=O)c2)OC1(C)C
InChIKey: XFYVLZVRMQJRCB-UHFFFAOYSA-N
분자식: C11H18BN3O3
평균 분자량: 251.09 g/mol
단동위원소 질량: 251.14412184

이름 및 식별자

우선 이름: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide
IUPAC: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
영어명: 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide
분자식: C11H18BN3O3
분자량: 251.09

이름 및 동의어

1083326-46-82-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamideDTXSID707192182-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamideRefChem:251827DTXCID50669964855-961-64-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamideMFCD166602362-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide1H-Pyrazole-1-acetamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

이름 더 보기

2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide 95%

XFYVLZVRMQJRCB-UHFFFAOYSA-N2-[4-(tetramethyl-1,SCHEMBL25444571-(2-Amino-2-oxoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester(1-(2-AMINO-2-OXOETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015919945CS-W018985SB15552

데이터베이스 식별자

CAS: 1083326-46-8
PubChem CID: 56965734
DTXSID: DTXSID70719218
EC Number: 855-961-6

물성

구조 계산 물성

극성 표면적: 79.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 332

물리화학적 성질

끓는 점: 440.8 · 440.8±25.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 15 · 15+-.0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933199090

화학 및 산업

응용 분야

용도4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamide, can be used in the preparation of pharmaceutical and biologically active compounds, including inhibitors and therapeutic agents.