CAS 22007-68-7 2-Methylpropanimidamide hydrochloride (HCID 2782053)

基本情報

CAS: 22007-68-7
標準SMILES: CC(C)C(=N)N.Cl
InChIKey: VWXLCWNPSOUPPE-UHFFFAOYSA-N
分子式: C4H11ClN2
平均分子量: 122.6 g/mol
単同位体質量: 122.06107603

名称と識別子

優先名称: 2-Methylpropanimidamide hydrochloride
IUPAC: 2-methylpropanimidamide;hydrochloride
現地名: 2-メチルプロパンイミドアミド塩酸塩
英語名: 2-Methylpropanimidamide hydrochloride
分子式: C4H11ClN2
分子量: 122.6

名称と別名

2-methylpropanimidamide hydrochlorideDTXSID30381915RefChem:476191DTXCID10332940639-430-422007-68-7Isobutyrimidamide hydrochlorideisobutyramidine hydrochlorideMFCD00173787Isobutanimidamide Hydrochloride2-Methylpropanamidine hydrochloride2-methylpropionamidine hydrochloride

名称をさらに表示

2-メチルプロパンイミドアミド塩酸塩2‐メチルプロパンイミドアミド塩酸塩2-メチルプロピオンアミジン塩酸塩イソプロピルカルバミジン塩酸塩メチルプロパンイミドアミド塩酸塩IsobutyramidineBUTTPARK 43\57-272-MethylpropanimidamideHCl2-METHYLPROPIONAMIDINE HCLIsopropylcarbamidineydrochlorideISO-PROPYLCARBAMIDINE HYDROCHLORIDE

2-methylpropanimidamide;hydrochloride2-amidinopropane hydrochlorideIsopropylcarbamidine hydrochloride2-METHYLPROPANIMIDAMIDE HCLNSC66913NSC-66913AS-19911isobutanamidine hydrochloride

データベース識別子

CAS: 22007-68-7
PubChem CID: 2782053
DTXSID: DTXSID30381915
EC Number: 639-430-4

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: 7
形式電荷: 0
複雑度: 56.6

物理化学的性質

融点: 159 °C · 159 °C
貯蔵温度: Inert atmosphere,Room Temperature
外見: crystalline solid
色: White
InChI: InChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKey: VWXLCWNPSOUPPE-UHFFFAOYSA-N
SMILES: C(C)(C)C(=N)N.Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.