1,2-ジメチル-1,4,5,6-テトラヒドロピリミジン

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

HCID 77953

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4271-96-9
標準SMILES: CC1=NCCCN1C
InChIKey: ZFDWWDZLRKHULH-UHFFFAOYSA-N
分子式: C6H12N2
平均分子量: 112.17 g/mol
単同位体質量: 112.10004838

名称と識別子

優先名称: Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
IUPAC: 1,2-dimethyl-5,6-dihydro-4H-pyrimidine
現地名: 1,2-ジメチル-1,4,5,6-テトラヒドロピリミジン
英語名: 1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
分子式: C6H12N2
分子量: 112.17

名称と別名

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]

名称をさらに表示

1,2-ジメチル-1,4,5,6-テトラヒドロピリミジン1,4,5,6-テトラヒドロ-1,2-ジメチルピリミジンDMTHPMPyrantel 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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.2
極性表面積: 15.6 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 107

物理化学的性質

沸点: 125 °C · 125°C (115 mmHg)
比重(密度): 0 · 0,98 g/cm3
闪点: 73 °C · 73°C
貯蔵温度: 2 · 2-8°C
溶解性: アセトン（少量）、クロロホルム（少量）、DMSO（少量）、メタノール（少量）
酸解離定数(Pka): 13.42 · 13.42±0.20(Predicted)
外見: 油
色: 無色透明
比重: 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
CAS データベース: 4271 · 4271-96-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- (4271-96-9)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: WGK 3
tsca: TSCA listed
ridadr: 3267
hs_code: 2933599590
risk_code: 22-34
hazard_code: Xi
safety_code: 23-26-36/37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

使用1,2-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.

上流・下流製品情報

上流原料

サプライヤー100 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

化合物ノート

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