メチルアミノアセトニトリル酸

Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)

HCID 117641

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25808-30-4
標準SMILES: CNCC#N.Cl
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
分子式: C3H7ClN2
平均分子量: 106.55 g/mol
単同位体質量: 106.0297759

名称と識別子

優先名称: Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)
IUPAC: 2-(methylamino)acetonitrile;hydrochloride
現地名: メチルアミノアセトニトリル酸
英語名: Methylaminoacetonitrile hydrochloride
分子式: C3H7ClN2
分子量: 106.55

名称と別名

Methylaminoacetonitrile hydrochlorideAcetonitrile, 2-(methylamino)-, hydrochloride (1:1)Cyanomethyl(methyl)ammonium chlorideR6AU3C4NY5N-Methylaminoacetonitrile hydrochlorideDTXSID3067152(METHYLAMINO)ACETONITRILE MONOHYDROCHLORIDERefChem:199347DTXCID703739725808-30-42-(methylamino)acetonitrile hydrochlorideAcetonitrile, (methylamino)-, monohydrochloride

名称をさらに表示

メチルアミノアセトニトリル酸メチルアミノアセトニトリル塩酸塩メチルアミノアセトニトリル塩酸塩SARCOSINITRILEJACS-25808-30-4MethylaminoacetonitrMETHYLAMINOACETONITRILE HCLSARCOSINITRILE HYDROCHLORIDEN-METHYL AMINOACETONITRILE HCLSARCOSINE NITRILE HYDROCHLORIDE(methylamino)acetonitrilhydrochlorid

MFCD00012587C3H7ClN2Methylaminoacetonitrile, hydrochloride2-(methylamino)acetonitrile;hydrochlorideSCHEMBL846682CS-W002073GS-3232BP-12476

データベース識別子

CAS: 25808-30-4
PubChem CID: 117641
DTXSID: DTXSID3067152
UNII: R6AU3C4NY5
EC Number: 247-277-6

物性

構造計算による物性

極性表面積: 35.8 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 49.2

物理化学的性質

融点: 103 · 103-106 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
BRN: 3908975 · 3908975
InChI: 1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
SMILES: Cl.CNCC#N
CAS データベース: 25808 · 25808-30-4(CAS DataBase Reference)
EPAの化学物質情報: Acetonitrile, (methylamino)-, monohydrochloride (25808-30-4)

化学的性質

化学的特性Yellow crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (97.6%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationAcetonitrile, 2-(methylamino)-, hydrochloride (1:1): ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用Methylaminoacetonitrile hydrochloride can be used as an intermediate in pharmaceutical and chemical synthesis. It is the raw material for the preparation of tadalafil. Approved by the FDA in 2003, tadalafil was marketed in the United States as a drug for the treatment of erectile dysfunction in men.