4-(사이클로펜틸아미노카보닐)페닐보론산

(4-(Cyclopentylcarbamoyl)phenyl)boronic acid

HCID 2773358

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850568-15-9
표준 SMILES: O=C(NC1CCCC1)c1ccc(B(O)O)cc1
InChIKey: VMJFATWKBZYOFO-UHFFFAOYSA-N
분자식: C12H16BNO3
평균 분자량: 233.07 g/mol
단동위원소 질량: 233.12232377

이름 및 식별자

우선 이름: (4-(Cyclopentylcarbamoyl)phenyl)boronic acid
IUPAC: [4-(cyclopentylcarbamoyl)phenyl]boronic acid
현지명: 4-(사이클로펜틸아미노카보닐)페닐보론산
영어명: 4-(CYCLOPENTYLAMINOCARBONYL)PHENYLBORONIC ACID
분자식: C12H16BNO3
분자량: 233.07

이름 및 동의어

850568-15-9(4-(Cyclopentylcarbamoyl)phenyl)boronic acid4-(Cyclopentylaminocarbonyl)phenylboronic acid[4-(cyclopentylcarbamoyl)phenyl]boronic Acid4-(cyclopentylcarbamoyl)phenylboronic acid4-Cyclopentylaminocarbonylphenylboronic acidMFCD03788418Boronic acid, B-[4-[(cyclopentylamino)carbonyl]phenyl]-(4-(Cyclopentylcarbamoyl)phenyl)boronicacid4-(CYCLOPENTYLCARBAMOYL)BENZENEBORONIC ACIDSCHEMBL384423DTXSID70378405

이름 더 보기

4-(사이클로펜틸아미노카보닐)페닐보론산N-CYCLOPENTYL 4-BORONOBENZAMIDE4-(cyclopentylformylamino)phenylboronic acid4-(CYCLOPENTYLAMINOCARBONYL)BENZENEBORONIC ACID4-(CyclopentylcarbaMoyl)benzeneboronic acid, 97%[4-(N-Cyclopentylaminocarbonyl)phenyl]boronic acid[2-[(cyclopentylamino)-oxomethyl]phenyl]boronic acid4-Cyclopentylaminocarbonylphenylboronic acid - C2412

VMJFATWKBZYOFO-UHFFFAOYSA-NAKOS015949596AB15993NCGC00249495-01AS-55273DA-02350SY318827CS-0060789

데이터베이스 식별자

CAS: 850568-15-9
PubChem CID: 2773358
DTXSID: DTXSID70378405
EC Number: 689-935-9

물성

구조 계산 물성

극성 표면적: 69.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 258

물리화학적 성질

녹는점: 196 · 196-200°C
밀도: 1.215 · 1.215±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.125 · 8.125±0.16(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.