시클로프로필보론산메틸이미노디아세트산무수물

2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

HCID 44138342CAS 1104637-36-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CC(=O)OB(C2CC2)OC(=O)C1
InChIKey: LLXFTRDFBQZFSN-UHFFFAOYSA-N
분자식: C8H12BNO4
평균 분자량: 197 g/mol
단동위원소 질량: 197.08593826

이름 및 식별자

우선 이름: 2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC: 2-cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
현지명: 시클로프로필보론산메틸이미노디아세트산무수물
영어명: Cyclopropylboronic acid methyliminodiacetic acid anhydride
분자식: C8H12BNO4
분자량: 197

이름 및 동의어

1104637-36-62-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dioneDTXSID90657623RefChem:260026DTXCID50608373959-478-2Cyclopropylboronic acid MIDA esterMFCD11215247Cyclopropylboronic acid methyliminodiacetic acid anhydrideAKOS016004295AC-33871AS-55780

이름 더 보기

시클로프로필보론산메틸이미노디아세트산무수물boronic acid MIDA esterMethyliminodiacetic acid anhydrideCyclopropylboronic acid MIDA ester 97%Cyclopropylboronic acid methyliminodiacetic acid ester[N-[(Carboxy)methyl]-N-methylglycinato]cyclopropylboron(T-4)-[N-[(Carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]cyclopropylboron8-Cyclopropyl-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

1313614-52-6SCHEMBL22766212Cyclopropylboronic acid MIDA ester, 97%SY279658Cyclopropylboronic acid methyliminodiacetateEN300-251086N12127F227215

데이터베이스 식별자

CAS: 1104637-36-6
PubChem CID: 44138342
DTXSID: DTXSID90657623
EC Number: 959-478-2
Nikkaji: J2.728.959B

물성

구조 계산 물성

극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 246

물리화학적 성질

녹는점: 183 · 183-193 °C
저장 조건: 2 · 2-8°C
물리적 상태: powder
InChI: 1S/C8H12BNO4/c1-10-4-7(11)13-9(6-2-3-6)14-8(12)5-10/h6H,2-5H2,1H3
InChIKey: LLXFTRDFBQZFSN-UHFFFAOYSA-N
SMILES: CN1CC(=O)OB(OC(=O)C1)C2CC2

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.