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6-메틸-2-옥소퍼하이드로피리미딘-4-일루리아

Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-

HCID 95479
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
1129-42-6
표준 SMILES
CC1CC(NC(N)=O)NC(=O)N1
InChIKey
CZAUMIGWDFREBR-UHFFFAOYSA-N
분자식
C6H12N4O2
평균 분자량
172.19 g/mol
단동위원소 질량
172.09602564

이름 및 식별자

우선 이름
Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
IUPAC
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea
현지명
6-메틸-2-옥소퍼하이드로피리미딘-4-일루리아
영어명
6-methyl-2-oxoperhydropyrimidin-4-ylurea
분자식
C6H12N4O2
분자량
172.19

이름 및 동의어

NSC 134036-Methyl-2-oxoperhydropyrimidin-4-ylurea(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)ureaEINECS 214-447-6NSC 138171EC 214-447-6Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-RefChem:901317214-447-61129-42-61-(6-methyl-2-oxohexahydropyrimidin-4-yl)ureaUrea, (hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
이름 더 보기
6-메틸-2-옥소퍼하이드로피리미딘-4-일루리아6-메틸-2-옥소퍼하이드로피리미딘-4-일우레아(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-Urea
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea(6-Methyl-2-oxo-hexahydro-pyrimidin-4-yl)-ureacrotonylidene diureaSCHEMBL2895352DTXSID00883658NSC13403NSC-13403NSC138171

데이터베이스 식별자

CAS
1129-42-6
PubChem CID
95479
DTXSID
DTXSID00883658
EC Number
214-447-6
Nikkaji
J563K

물성

구조 계산 물성

XLogP
-1.2
극성 표면적
96.3 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
12
형식 전하
0
복잡도
206

물리화학적 성질

녹는점
250 °C · 250 °C (decomp)
끓는 점
454.3 · 454.3±45.0 °C(Predicted)
밀도
1.3 · 1.30±0.1 g/cm3(Predicted)
산도 계수 (pKa)
13.19 · 13.19±0.40(Predicted)
수용성
5.065 g/L · 5.065g/L at 20℃
LogP
-1.34 at · -1.34 at 20℃
EPA
(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)urea (1129-42-6)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (108 of 108) of all reports.

Not Classified

Aggregated GHS information provided per 108 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 6-methyl-2-oxoperhydropyrimidin-4-ylurea (EC: 214-447-6)

(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)urea: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationUrea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-: ACTIVE

응용 분야

용도significantly increases the activity of urease and dehydrogenase soil enzymes as well as yield and quality of banana on inceptisol.

제조 방법 · 1건

생산 방법6-methyl-2-oxoperhydropyrimidin-4-ylurea, is obtained either by condensation of urea with crotonaldehyde in the presence of acid or by the more straightforward route involving condensation of urea with acetaldehyde in the molar ratio 1 : 1 in the presence of acid, which is used in industry. 2,7-Dioxo-4,5-dimethyldecahydropyrimido[4,5-d]pyrimidine is formed as a byproduct in the second route. 2-Oxo-4-ureido-6-methylhexahydropyrimidine is produced industrially by a continuous process employing a stirred tank cascade. A 70% urea solution is treated with acetaldehyde at a molar ratio of 1 : 1 in the presence of a catalytic amount of 75% sulfuric acid. The exothermic reaction is kept between 38 and 60 ℃ by controlled cooling. The pH is initially kept above 3 and in the final reactors below 2 by addition of sulfuric acid. Average residence time in the cascade is 40 min. In the last stirred tank, the reaction mixture is neutralized with aqueous potassium hydroxide solution. Drying is carried out in a spray tower.

상·하류 제품 정보

상류 원료

요소크로톤알데하이드아세트알데히드

공급사3 곳

陕西缔都医药化工有限公司

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