ドデカン酸ヒドラジド

Dodecanohydrazide

HCID 219621CAS 5399-22-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCCCC(=O)NN
InChIKey: YTQHSQQSLTYMSL-UHFFFAOYSA-N
分子式: C12H26N2O
平均分子量: 214.35 g/mol
単同位体質量: 214.20451346

名称と識別子

優先名称: Dodecanohydrazide
IUPAC: dodecanehydrazide
現地名: ドデカン酸ヒドラジド
英語名: Dodecanohydrazide
分子式: C12H26N2O
分子量: 214.35

名称と別名

dodecanehydrazideDodecanohydrazide5399-22-4Lauric acid hydrazideDodecanoic hydrazideDodecanoic acid, hydrazideMFCD00025132Dodecanoic acid hydrazideLauric acid, hydrazideLauroylhydrazineDodec acid hydrdodecanoyl hydrazine

名称をさらに表示

ドデカン酸ヒドラジドラウリン酸ヒドラジドAKOS B014976laurohydrazideLauryl hydrazineART-CHEM-BB B014976DODECANOIC HYDRAZID

Maybridge1_008355SCHEMBL998990HMS565D17DTXSID90277204NSC1136CHEBI:183765YTQHSQQSLTYMSL-UHFFFAOYSA-NALBB-001053

データベース識別子

CAS: 5399-22-4
PubChem CID: 219621
DTXSID: DTXSID90277204
ChEBI: CHEBI:183765
EC Number: 676-506-6
Nikkaji: J27.721E

物性

構造計算による物性

XLogP: 3.2
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: 10
重原子数: 15
形式電荷: 0
複雑度: 149

物理化学的性質

融点: 104.5 °C · 104.5 °C(Solv: ethanol (64-17-5))
沸点: 270 · 270-275 °C
比重(密度): 0.907 · 0.907±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.29 · 13.29±0.35(Predicted)
CAS データベース: 5399 · 5399-22-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.