1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
68612-94-2- 표준 SMILES
Cc1cc(=O)n(CCCOC(C)C)c(O)c1C#N- InChIKey
VSQJORHLXHADFP-UHFFFAOYSA-N- 분자식
- C13H18N2O3
- 평균 분자량
- 250.29 g/mol
- 단동위원소 질량
- 250.13174244
이름 및 식별자
- 우선 이름
- 1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
- IUPAC
- 2-hydroxy-4-methyl-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
- 영어명
- 3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone
- 분자식
- C13H18N2O3
- 분자량
- 250.29
이름 및 동의어
68612-94-2EC 411-990-21,2-Dihydro-6-hydroxy-4-methyl-1-(3-(1-methylethoxy)propyl)-2-oxo-3-pyridinecarbonitrile1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrileRefChem:71915411-990-21-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone2-hydroxy-4-methyl-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-pyridine-3-carbonitrileSCHEMBL6244194DTXSID20579006
이름 더 보기
2-oxo-3-pyridinecarbonitrile3-Cyano-4-methyl-6-hydroxy-N-(2-isopropoxypropyl)-2-pyridone1-Isoproxypropyl-1,2-Dihydro-6-Hydroxy-4-Methyl-2-Oxo-3-Pyri...3-PYRIDINECARBONITRILE, 1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone ISO 9001：2015 REACH6-HYDROXY-1-(3-ISOPROPOXY-PROPYL)-4-METHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
PTPMVSMJQWEBHQ-UHFFFAOYSA-NVSQJORHLXHADFP-UHFFFAOYSA-NMFCD06658232AKOS015841703AC-22508NS000013993-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methylpyridone6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
데이터베이스 식별자
- CAS
68612-94-2- PubChem CID
- 15868916
- DTXSID
DTXSID20579006- EC Number
- 411-990-2
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 73.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 440
물리화학적 성질
- 끓는 점
- 389.1 · 389.1±42.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.76 · 3.76±0.58(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationREACH registered substance: 1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile (EC: 411-990-2)
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
안전 데이터
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 24-37
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…