CAS 2011-48-5 4-Methoxybenzylhydrazine hydrochloride (HCID 45789374)

基本情報

CAS: 2011-48-5
標準SMILES: COc1ccc(CNN)cc1.Cl
InChIKey: NWIAETGHZKYGAD-UHFFFAOYSA-N
分子式: C8H13ClN2O
平均分子量: 188.65 g/mol
単同位体質量: 188.0716407

名称と識別子

優先名称: 4-Methoxybenzylhydrazine hydrochloride
IUPAC: (4-methoxyphenyl)methylhydrazine;hydrochloride
現地名: 1-(4-メトキシフェニル)メチルヒドラジン·塩酸塩
英語名: (4-Methoxybenzyl)hydrazine dihydrochloride
分子式: C8H14Cl2N2O
分子量: 225.12

名称と別名

4-Methoxybenzylhydrazine hydrochlorideHYDRAZINE, [(4-METHOXYPHENYL)METHYL]-, HYDROCHLORIDE (1:1)Hydrazine, ((4-methoxyphenyl)methyl)-, hydrochloride (1:1)RefChem:524742691-648-9(4-Methoxybenzyl)hydrazine hydrochloride2011-48-5[(4-methoxyphenyl)methyl]hydrazine hydrochlorideMFCD01722406(4-Methoxyphenyl)methylhydrazine hydrochloride(4-methoxyphenyl)methylhydrazine;hydrochloride(4-METHOXYBENZYL)HYDRAZINE HCL

名称をさらに表示

1-(4-メトキシフェニル)メチルヒドラジン·塩酸塩1-(4-メトキシフェニル)メチルヒドラジン・塩酸塩USAF LA-7(4-methoxybenzyl)hydrazinium chloride(4-Methoxybenzyl)hydrazine dihydrochloridep-Methoxybenzylhydrazine monohydrochlorideHydrazine, p-methoxybenzyl-, hydrochloride1-[(4-methoxyphenyl)methyl]hydrazine hydrochloride(4-methoxyphenyl)methyl]-Hydrazine hydrochloride (1:1)

Hydrazine, [(4-methoxyphenyl)methyl]-, monohydrochloride1-(4-Methoxybenzyl)hydrazine Hydrochloride; [(4-Methoxyphenyl)methyl]hydrazine Hydrochloride;SCHEMBL191653DTXSID40942132NWIAETGHZKYGAD-UHFFFAOYSA-N(4-Methoxybenzyl)hydrazine HCl saltAKOS015909145(4-Methoxybenzyl)hydrazinehydrochloride

データベース識別子

CAS: 2011-48-5
PubChem CID: 45789374
DTXSID: DTXSID40942132
EC Number: 691-648-9

物性

構造計算による物性

極性表面積: 47.3 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 100

物理化学的性質

融点: 194 · 194-195℃ (decomposition)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: 淡黄色～淡黄色
安定性: 吸湿性
InChI: InChI=1S/C8H12N2O.2ClH/c1-11-8-4-2-7(3-5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
InChIKey: XMPHUNHAMDBTBE-UHFFFAOYSA-N
SMILES: C1C(OC)=CC=C(CNN)C=1.Cl.Cl

安全と法規制

安全データ

毒性: mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
hs_code: 2928009090
hazard_class: IRRITANT