1,2-디메틸-1,4,5,6-테트라히드로피리미딘

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-

HCID 77953CAS 4271-96-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=NCCCN1C
InChIKey: ZFDWWDZLRKHULH-UHFFFAOYSA-N
분자식: C6H12N2
평균 분자량: 112.17 g/mol
단동위원소 질량: 112.10004838

이름 및 식별자

우선 이름: Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
IUPAC: 1,2-dimethyl-5,6-dihydro-4H-pyrimidine
현지명: 1,2-디메틸-1,4,5,6-테트라히드로피리미딘
영어명: 1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
분자식: C6H12N2
분자량: 112.17

이름 및 동의어

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine1,4,5,6-Tetrahydro-1,2-dimethylpyrimidinePyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-2,3-DimethyltetrahydropyrimidineF4M3LG4PSUEINECS 224-262-22,3-dimethyl-3,4,5,6-tetrahydropyrimidineDTXSID3063382EC 224-262-2Pyrimidine, 3,4,5,6-tetrahydro-2,3-dimethyl-PYRANTEL EMBONATE IMPURITY D [EP IMPURITY]MORANTEL HYDROGEN TARTRATE IMPURITY C [EP IMPURITY]

이름 더 보기

1,2-디메틸-1,4,5,6-테트라히드로피리미딘DMTHPMPyrantel Impurity D1,2-Dimethyl-1,4,5,6Phenytoin Impurity 12-1,4,5,6-tetrahydropyrimidinePyrantel impurity D (Y0001817)Pyrantel embonate EP Impurity DDi Methyl Tetra Hydro Pyrimidine

PYRANTEL EMBONATE IMPURITY D (EP IMPURITY)MORANTEL HYDROGEN TARTRATE IMPURITY C (EP IMPURITY)RefChem:177756DTXCID3040140ZFDWWDZLRKHULH-UHFFFAOYSA-N4271-96-91,2-dimethyl-5,6-dihydro-4H-pyrimidineMFCD00036056

데이터베이스 식별자

CAS: 4271-96-9
PubChem CID: 77953
DTXSID: DTXSID3063382
UNII: F4M3LG4PSU
EC Number: 224-262-2
Nikkaji: J39.645A

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 15.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 107

물리화학적 성질

끓는 점: 125 °C · 125°C (115 mmHg)
밀도: 0 · 0,98 g/cm3
인화점: 73 °C · 73°C
저장 조건: 2 · 2-8°C
용해도: 아세톤(소량으로 용해), 클로로포름(소량으로 용해), DMSO(소량으로 용해), 메탄올(소량으로 용해)
산도 계수 (pKa): 13.42 · 13.42±0.20(Predicted)
물리적 상태: 기름
색상: 투명 무색
Specific Gravity: 0.982 · 0.982 (20/4℃)
InChI: 1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3
InChIKey: ZFDWWDZLRKHULH-UHFFFAOYSA-N
EPA: 1 · Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- (4271-96-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-

Status: Active Update: 09-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17760

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
tsca: TSCA listed
ridadr: 3267
HS 번호: 2933599590
risk_code: 22-34
hazard_code: Xi
safety_code: 23-26-36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-: ACTIVE

응용 분야

용도1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine is a reagent used in the synthesis of pyrantel derivatives with nematocidal activity. Also used as a reactant in the preparation of hapten antibodies that evoke terpenoid cyclization.

상·하류 제품 정보

상류 원료

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