ピバルアミジン塩酸塩

Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)

HCID 2781880

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18202-73-8
標準SMILES: CC(C)(C)C(=N)N.Cl
InChIKey: ARDGQYVTLGUJII-UHFFFAOYSA-N
分子式: C5H13ClN2
平均分子量: 136.62 g/mol
単同位体質量: 136.0767261

名称と識別子

優先名称: Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)
IUPAC: 2,2-dimethylpropanimidamide;hydrochloride
現地名: ピバルアミジン塩酸塩
英語名: tert-Butylcarbamidine hydrochloride
分子式: C5H13ClN2
分子量: 136.62

名称と別名

18202-73-8Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)RefChem:1096764Pivalimidamide hydrochloride2,2-dimethylpropanimidamide HydrochlorideMFCD00051988TERT-BUTYLCARBAMIDINE HYDROCHLORIDEPIVALIMIDAMIDE HCL2,2-dimethylpropanimidamide;hydrochlorideSCHEMBL1842852,2,2-TRIMETHYLACETAMIDINE HYDROCHLORIDE(1-amino-2,2-dimethylpropylidene)azanium;chloride

名称をさらに表示

ピバルアミジン塩酸塩2,2-ジメチルプロピオンアミジン塩酸塩2,2-ジメチルプロパンイミドアミド塩酸塩T-ブチルカルバミジン塩酸塩TERT-ブチルカルバミジン塩酸塩tert-ブチルカルバミジン塩酸塩, 98%2,2-ジメチルプロパンイミドアミド・塩酸塩pivalamidine hydrochloridetert-ButylcarbamidineHClPivalamidineHydrochloride>2,2-DIMETHYLPROPIONAMIDINE HCL2,2-Dimethylpropanimidamide HCltrimethylacetamidine hydrochloride2-Methylisobutanamidine hydrochloride

NSC297167NSC-297167T-BUTYLCARBAMIDINE HYDROCHLORIDE2,2-Dimethylpropionamidine HydrochlorideP17612,2-Dimethylpropanamidine hydrochloridePivalimidamidehydrochloridePropanimidamide, 2,2-dimethyl-, monohydrochloride

データベース識別子

CAS: 18202-73-8
PubChem CID: 2781880
DTXSID: DTXSID50939518
EC Number: 242-091-1

物性

構造計算による物性

極性表面積: 49.9 Å²
水素結合供与体数: 3
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 78.6

物理化学的性質

融点: 190 °C · 190 °C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: powder to crystal
色: White to Almost white
BRN: 3618865 · 3618865
InChIKey: ARDGQYVTLGUJII-UHFFFAOYSA-N
CAS データベース: 18202 · 18202-73-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

安全データ

hs_code: 2921199990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野

使用Pivalimidamide Hydrochloride is used as a reagent in the preparation of 2-alkyl-4-aryltetrahydropyridopyrimidines and 2-alkyl-4-aryl-tetrahydropyrimidoazepines as selective 5-HT2A antagonists.