CAS 132664-85-8 2-(Aminomethyl)-5-methylpyrazine (HCID 2756496)

基本情報

CAS: 132664-85-8
標準SMILES: Cc1cnc(CN)cn1
InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N
分子式: C6H9N3
平均分子量: 123.16 g/mol
単同位体質量: 123.07964729

名称と識別子

優先名称: 2-(Aminomethyl)-5-methylpyrazine
IUPAC: (5-methylpyrazin-2-yl)methanamine
現地名: 2-(アミノメチル)-5-メチルピラジン
英語名: 2-(Aminomethyl)-5-methylpyrazine
分子式: C6H9N3
分子量: 123.16

名称と別名

2-(Aminomethyl)-5-methylpyrazine132664-85-8DTXSID90373396RefChem:253126DTXCID30324428671-087-6(5-methylpyrazin-2-yl)methanamineMFCD013145422-Pyrazinemethanamine, 5-methyl-(5-methylpyrazin-2-yl)methylamine1-(5-methylpyrazin-2-yl)methanamine5-Methyl-2-pyrazinemethanamine; (5-Methylpyrazin-2-yl)methanamine; 1-(5-Methyl-2-pyrazinyl)methanamine

名称をさらに表示

2-(アミノメチル)-5-メチルピラジン2-PyrazineMethanaMine,5-Methyl-(5-methyl-2-pyrazinyl)methanamine1-(5-Methyl-2-pyrazinyl)methanamine2-(Aminomethyl)-5-methylpyrazine >2-(AMinoMethyl)-5-Methylpyrazine HCL2-(AMINOMETHYL)-5-METHYLPYRAZINE 97%

Pyrazinemethanamine, 5-methyl-2-aminomethyl-5-methylpyrazineSCHEMBL54765-aminomethyl-2-methylpyrazine5-methyl-2-pyrazinemethanamineSCHEMBL4706525SCHEMBL14793643SCHEMBL29412844

データベース識別子

CAS: 132664-85-8
PubChem CID: 2756496
DTXSID: DTXSID90373396
EC Number: 671-087-6
Nikkaji: J254.867D

物性

構造計算による物性

XLogP: -0.9
極性表面積: 51.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 84.4

物理化学的性質

沸点: 216.2 · 216.2±35.0 °C(Predicted)
比重(密度): 1.09 · 1.09
屈折率: 1.538 · 1.5380-1.5430
貯蔵温度: Refrigerator
酸解離定数(Pka): 6.94 · 6.94±0.29(Predicted)
外見: clear liquid
色: Colorless to Yellow to Green
比重: 1.09 · 1.09
InChI: InChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,2,7H2,1H3
InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N
SMILES: C1(CN)=NC=C(C)N=C1
CAS データベース: 132664 · 132664-85-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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. 3 (92.9%)

安全データ

ridadr: 2735
hs_code: 2933998090
risk_code: 21/22-34-41-37/38-22
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 26-36/37/39-39
hazard_class: 8
packing_group: II

化学と産業

応用分野 · 1 件

説明2-(Aminomethyl)-5-methylpyrazine can be used as a pharmaceutical synthesis intermediate, for example, to prepare pyrocatecholamide, which is an antiplatelet drug with a dual inhibitory action. This substance can be prepared from 2,5-dimethylpyrazine as a reaction raw material.