기본 정보
- CAS
535934-70-4- 표준 SMILES
Cc1cc(N(C)C)ncc1B(O)O- InChIKey
CVPDQSRAEJAOCP-UHFFFAOYSA-N- 분자식
- C8H13BN2O2
- 평균 분자량
- 180.01 g/mol
이름 및 식별자
- 우선 이름
- (6-(Dimethylamino)-4-methylpyridin-3-yl)boronic acid
- IUPAC
- [6-(dimethylamino)-4-methyl-3-pyridinyl]boronic acid
- 현지명
- 6-디메틸아미노-4-메틸-피리딘보론산
- 영어명
- 6-dimethylamino-4-methyl-pyridineboronic acid
- 분자식
- C8H13BN2O2
- 분자량
- 180.01
이름 및 동의어
535934-70-4(6-(dimethylamino)-4-methylpyridin-3-yl)boronic acid2-(Dimethylamino)-4-methylpyridine-5-boronic acidMFCD129126946-dimethylamino-4-methyl-pyridineboronic acid[6-(dimethylamino)-4-methylpyridin-3-yl]boronic acid6-(dimethylamino)-4-methylpyridine-3-boronic acid6-(dimethylamino)-4-methylpyridin-3-ylboronic acid6-(Dimethylamino)pyridine-3-boronic acid dihydrochloride2-dimethylamino-4-methyl-5-pyridyl boronic acidamino)pyridine-3-boronic acidSCHEMBL3842549
이름 더 보기
6-디메틸아미노-4-메틸-피리딘보론산(6-Dimethylamino-4-methyl-3-pyridinyl)boronic acid(6-dimethylamino-3-pyridyl)boronic acid dihydrochlorideBoronic acid, B-[6-(dimethylamino)-4-methyl-3-pyridinyl]-(6-(Dimethylamino)-4-methylpyridin-3-yl)boronic acid - [D90217]
[6-(Dimethylamino)-4-methyl-3-pyridinyl]-boronic acidSCHEMBL29956959CVPDQSRAEJAOCP-UHFFFAOYSA-NCS1653AKOS017343826FS-6559AC-31782SY068763
데이터베이스 식별자
- CAS
535934-70-4- PubChem CID
- 22147341
- EC Number
- 672-933-7
- Nikkaji
- J1.908.008K
물성
구조 계산 물성
- 극성 표면적
- 56.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 166
물리화학적 성질
- 끓는 점
- 381.4 · 381.4±52.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 산도 계수 (pKa)
- 4.28 · 4.28±0.58(Predicted)
안전 및 규제
GHS 분류
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933399990
화학 및 산업
응용 분야
용도[6-(Dimethylamino)-4-methyl-3-pyridinyl]-boronic acid
공급사42 곳
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