CAS 874290-95-6 N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-pyrrolidinecarboxamide (HCID 44119373)

기본 정보

CAS: 874290-95-6
표준 SMILES: CC1(C)OB(c2ccc(NC(=O)N3CCCC3)cc2)OC1(C)C
InChIKey: YYWNYUFLSXVMRD-UHFFFAOYSA-N
분자식: C17H25BN2O3
평균 분자량: 316.2 g/mol
단동위원소 질량: 316.19582306

이름 및 식별자

우선 이름: N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-pyrrolidinecarboxamide
IUPAC: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
현지명: 4-[(PYRROLIDIN-1-YLCARBONYL)아미노]벤젠보론산,피나콜에스테르97
영어명: 4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97
분자식: C17H25BN2O3
분자량: 316.2

이름 및 동의어

874290-95-6N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-pyrrolidinecarboxamideN-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-pyrrolidinecarboxamideRefChem:361642N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamideN-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamideMFCD086895144-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester1-PyrrolidinecarboxaMide, N-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(Pyrrolidinylcarbonylamino)phenylboronic acid, pinacol ester4-(Pyrrolidinylcarbonylamino)phenylboronic acid pinacol esterSCHEMBL20912361

이름 더 보기

4-[(PYRROLIDIN-1-YLCARBONYL)아미노]벤젠보론산,피나콜에스테르974-(Pyrrolidine-1-carbonylamino)benzeneboronic acid pinacol ester, 97%4-(Pyrrolidine-1-carbonylamino)benzeneboronic acid pinacol ester, 97%4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97

물성

구조 계산 물성

극성 표면적: 50.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 23
형식 전하: 0
복잡도: 425

물리화학적 성질

녹는점: 243 · 243-245
끓는 점: 492.4 · 492.4±37.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 13.08 · 13.08±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

HS 번호: 2933998090
hazard_code: Xi
위험 참고 사항: Irritant/Keep Cold

화학 및 산업

공급사21 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

화합물 노트

불러오는 중…

4-[(PYRROLIDIN-1-YLCARBONYL)아미노]벤젠보론산,피나콜에스테르97