イソ酪酸ヒドラジド

2-Methylpropanehydrazide

HCID 19239CAS 3619-17-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C(=O)NN
InChIKey: PLNNJQXIITYYTN-UHFFFAOYSA-N
分子式: C4H10N2O
平均分子量: 102.14 g/mol
単同位体質量: 102.07931294

名称と識別子

優先名称: 2-Methylpropanehydrazide
IUPAC: 2-methylpropanehydrazide
現地名: イソ酪酸ヒドラジド
英語名: Isobutyric acid hydrazide
分子式: C4H10N2O
分子量: 102.14

名称と別名

2-methylpropanehydrazideRefChem:476190673-609-8Isobutyric acid hydrazide3619-17-8Isobutyrohydrazide2-methylpropanohydrazidePropanoic acid, 2-methyl-, hydrazideIsobutyryl hydrazideISOBUTYRIC ACID, HYDRAZIDEMFCD000251222-Methylpropionic acid hydrazide

名称をさらに表示

1-イソブチリルヒドラジンイソブチリルヒドラジドイソブチロヒドラジドイソ酪酸ヒドラジド2-メチルプロパノヒドラジド2-メチルプロパンヒドラジドAKOS B015435ISOBUTYLVINYLETHERCHEMBRDG-BB 3015435isobutyrylhydrazideART-CHEM-BB B0154351-IsobutyrylhydrazineSPECS AE-848/30741004

NSC 141139BRN 0605579AI3-625274-02-00-00854 (Beilstein Handbook Reference)2-MethylpropionohydrazideISOBUTYRYL HYDRAZINESCHEMBL406213SCHEMBL481636

データベース識別子

CAS: 3619-17-8
PubChem CID: 19239
DTXSID: DTXSID70189755
ChEMBL: CHEMBL174244
EC Number: 673-609-8
Nikkaji: J68.600J

物性

構造計算による物性

XLogP: -0.6
極性表面積: 55.1 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: 7
形式電荷: 0
複雑度: 70.1

物理化学的性質

融点: 97 °C · 97 °C
沸点: 238.6 · 238.6±9.0 °C(Predicted)
比重(密度): 0.976 · 0.976±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 13.46 · 13.46±0.36(Predicted)
色: White to Almost white
InChI: 1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
InChIKey: PLNNJQXIITYYTN-UHFFFAOYSA-N
SMILES: CC(C)C(=O)NN
CAS データベース: 3619 · 3619-17-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 4 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 (75%)

安全データ

wgk: WGK 3
rtecs: NQ4700000
ridadr: UN2811
hs_code: 2928.00.5000
risk_code: 20/21/22-36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects