(E)-tert-Butyl 3-(3-(dimethylamino)-2-(3-methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylate
기본 정보
- CAS
1044764-38-6- 표준 SMILES
Cc1cc(/C(=C\N(C)C)C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)on1- InChIKey
IXMLVLDVMKFJBA-NTCAYCPXSA-N- 분자식
- C19H29N3O4
- 평균 분자량
- 363.5 g/mol
- 단동위원소 질량
- 363.21580641
이름 및 식별자
- 우선 이름
- (E)-tert-Butyl 3-(3-(dimethylamino)-2-(3-methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(E)-3-(dimethylamino)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enoyl]piperidine-1-carboxylate
- 영어명
- (E)-tert-butyl 3-(3-(diMethylaMino)-2-(3-Methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylate
- 분자식
- C19H29N3O4
- 분자량
- 363.45
이름 및 동의어
1044764-38-6(E)-tert-Butyl 3-(3-(dimethylamino)-2-(3-methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylate(E)-tert-Butyl 3-(3-(dimethylamino)-2-(3-methyl-isoxazol-5-yl)acryloyl)piperidine-1-carboxylatetert-butyl 3-[(E)-3-(dimethylamino)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enoyl]piperidine-1-carboxylateDTXSID60855831(E)-tert-Butyl3-(3-(dimethylamino)-2-(3-methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylatetert-Butyl 3-[(2E)-3-(dimethylamino)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enoyl]piperidine-1-carboxylatetert-Butyl 3-(3-(dimethylamino)-2-(3-methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylatetert-butyl(E)-3-(3-(dimethylamino)-2-(3-methylisoxazol-5-yl)acryloyl)piperidine-1-carboxylate(E)-tert-Butyl 3-(3-(dimethylamino)-2-(3-methyl-isoxazol-5-yl)acryloyl)piperidine-1-carboxylattert-Butyl 3-[(2E)-3-(dimethylamino)-2-(3-methyl-5-isoxazolyl)-2-propenoyl]-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 3-[3-(dimethylamino)-2-(3-methyl-5-isoxazolyl)-1-oxo-2-propen-1-yl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
1044764-38-6- PubChem CID
- 71464000
- DTXSID
DTXSID60855831
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 75.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 끓는 점
- 513.551 · 513.551±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.133 · 1.133±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder
- 산도 계수 (pKa)
- 3.673 · 3.673±0.70(predicted)
- InChI
- 1S/C19H29N3O4/c1-13-10-16(26-20-13)15(12-21(5)6)17(23)14-8-7-9-22(11-14)18(24)25-19(2,3)4/h10,12,14H,7-9,11H2,1-6H3/b15-12+
- InChIKey
- IXMLVLDVMKFJBA-NTCAYCPXSA-N
- SMILES
- O=C(/C(C1=CC(C)=NO1)=C/N(C)C)C2CN(C(OC(C)(C)C)=O)CCC2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
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