(3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)boronic acid

HCID 57440296

기본 정보

CAS
720692-77-3
표준 SMILES
CC(C)(C)OC(=O)N1CCc2ccc(B(O)O)cc2CC1
InChIKey
POZYCYGOSOMMJH-UHFFFAOYSA-N
분자식
C15H22BNO4
평균 분자량
291.15 g/mol
단동위원소 질량
291.16418858

이름 및 식별자

우선 이름
(3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)boronic acid
IUPAC
[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]boronic acid
영어명
[3-[[(1,1-DIMETHYLETHYL)OXY]CARBONYL]-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-7-YL]BORONIC ACID
분자식
C15H22BNO4
분자량
291.15

이름 및 동의어

720692-77-3(3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)boronic acid[3-[[(1,1-Dimethylethyl)oxy]carbonyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]boronic acid3-(1,1-Dimethylethyl) 7-borono-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate(3-{[(1,1-Dimethylethyl)oxy]carbonyl}-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)boronic acidstarbld0016511[3-[[(1,1-DIMETHYLETHYL)OXY]CARBONYL]-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-7-YL]BORONICACIDSCHEMBL2559623POZYCYGOSOMMJH-UHFFFAOYSA-NDTXSID101135138DB-353746(3-tert-butoxycarbonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)boronic acid
이름 더 보기
3H-3-Benzazepine-3-carboxylic acid, 7-borono-1,2,4,5-tetrahydro-, 3-(1,1-dimethylethyl) ester
[3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]boronic acid[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]boronic acid

데이터베이스 식별자

CAS
720692-77-3
PubChem CID
57440296
DTXSID
DTXSID101135138

물성

구조 계산 물성

극성 표면적
70 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
21

화학 및 산업

공급사1 곳

AlliChem, LLC[email protected]

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