1,3-디메틸-3,4,5,6-테트라히드로-2(1H)-피리미디논
2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
7226-23-5- 표준 SMILES
CN1CCCN(C)C1=O- InChIKey
GUVUOGQBMYCBQP-UHFFFAOYSA-N- 분자식
- C6H12N2O
- 평균 분자량
- 128.17 g/mol
- 단동위원소 질량
- 128.09496301
이름 및 식별자
- 우선 이름
- 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
- IUPAC
- 1,3-dimethyl-1,3-diazinan-2-one
- 현지명
- 1,3-디메틸-3,4,5,6-테트라히드로-2(1H)-피리미디논
- 영어명
- 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
- 분자식
- C6H12N2O
- 분자량
- 128.17
이름 및 동의어
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinoneN,N'-Dimethyltrimethyleneurea2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-CCRIS 4322Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-oneTetrahydro-1,3-dimethyl-2(1H)pyrimidine1,3-Dimethyltetrahydro-2(1H)-pyrimidinoneEINECS 230-625-6BRN 0110562DTXSID3074575EC 230-625-61,3Dimethyltetrahydropyrimidin2(1H)one
이름 더 보기
1,3-디메틸-3,4,5,6-테트라히드로-2(1H)-피리미디논DMPU1,3-Dimethyltetrahydropyrimidin-2(1H)-oneN,N'-Dimethylpropyleneurea1,3-Dimethyl-1,3-diazinan-2-one1,3-dimethyl-perhydro-2-pyrimidinone1,3-DIMETHYLTETRAHYDRO-2-PYRIMIDINONE1,3-Dimethyl-2-oxohexahydropyrimidine1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (DMPU)
1,3-dimethyl-3,4,5,6-tetrahydro-2[1H]-pyrimidinoneRefChem:439802N,N'DimethyltrimethyleneureaDTXCID10472812(1H)Pyrimidinone, tetrahydro1,3dimethyl1,3Dimethyl3,4,5,6tetrahydro2(1H)pyrimidinone230-625-67226-23-5
데이터베이스 식별자
- CAS
7226-23-5- PubChem CID
- 81646
- DTXSID
DTXSID3074575- ChEMBL
CHEMBL12284- UNII
- 4XZQ92RR2L
- EC Number
- 230-625-6
- Nikkaji
- J35.422H
물성
구조 계산 물성보충 중
- XLogP
- -0.1
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 112
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyrimidines
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless odorless liquid; Hygroscopic; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -20 °C · -20 °C
- 끓는 점
- 146 °C44 · 146 °C44 mm Hg(lit.)
- 밀도
- 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
- 증기압
- 0.5 hPa · 0.5 hPa (57 °C)
- 굴절률
- 20 · n20/D 1.488(lit.)
- 인화점
- 121 °C · 121 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- -0.65 · -0.65±0.20(Predicted)
- 색상
- 무색투명~미황색
- 수소이온지수(pH)
- 11 · 11 (100g/l, H2O, 20℃)
- 폭발한계
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-one (EC: 230-625-6)
1,3-Dimethyltetrahydro-2(1H)-pyrimidinone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-: Human health tier II assessment
Hazards Summary
May cause serious eye injury; Harmful by ingestion; Suspected of being toxic to fertility or the developing child; [ECHA REACH Registrations] Causes somnolence, ataxia, and respiratory stimulation in intraperitoneal lethal-dose studies of mice (LD50 = 1,300 mg/kg); [RTECS] A mild skin and severe eye irritant that may cause serious eye injury; Harmful by ingestion; Possible reproductive toxicant; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Repr. 2
안전 데이터
- wgk
화학 및 산업
용도 및 제조
UsesUsed in manufacturing and as a laboratory reagent; [ECHA REACH Registrations]
General Manufacturing Information2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-: ACTIVE
응용 분야
용도1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is a versatile organic solvent in and less toxic than HMPA. It is mainly applied in the synthesis of pharmaceuticals and agrochemicals. DMPU is also used in the electronics industry.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
1,214건
화합물 노트
불러오는 중…