HCID12194

sym-Diethylurea

1,3-diethylurea

C5H12N2O116.16 g/molCAS 623-76-7

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IDENTITY

结构与身份

标准SMILES: CCNC(=O)NCC
InChIKey: ZWAVGZYKJNOTPX-UHFFFAOYSA-N
分子式: C5H12N2O
平均分子量: 116.16 g/mol
单同位素质量: 116.09496301

COMPUTED

结构计算性质

已同步

XLogP: 0.1
极性表面积: 41.1 Å²
氢键供体: 2
氢键受体: 1
可旋转键: 2
重原子: 8
形式电荷: 0
复杂度: 64

PROPERTIES

实验与物化性质

来源：PubChem

Boiling Point

263 °C @760 [mm Hg]

Melting Point

112.5 °C

Physical Description

White crystalline powder; [Alfa Aesar MSDS]

GHS

GHS分类

来源：PubChem

GHS Classification

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 2 reports by companies from 2 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.

HAZARDS

危害信息

来源：PubChem

Hazards Summary

Causes general anesthesia and somnolence in intraperitoneal lethal-dose studies of mice (LDLo = 3,195 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS] See 1,3-Dibutyl-2-thiourea, and Trimethylthiourea, Tetramethylurea, and 1,3-Dimethylurea.

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

SAFETY

安全与防护

来源：PubChem

Protective Action Criteria (PAC)

14 [mg/m3]

150 [mg/m3]

910 [mg/m3]

TOXICITY

毒理信息

来源：PubChem

Adverse Effects

Neurotoxin - Other CNS neurotoxin

ALIASES

名称与别名

共 52 条

1,3-Diethylurea623-76-7N,N'-Diethylureasym-DiethylureaUrea, N,N'-diethyl-UREA, 1,3-DIETHYL-Urea, N,N'-diethylUrea, N,N'-diethyl (9CI)NSC 4291JWC8EN6FMEINECS 210-811-3BRN 1744741NSC-429DTXSID90211365symDiethylurean,n'diethylureaUrea, 1,3diethylUrea, N,N'diethylRefChem:890092Urea, N,N'diethyl (9CI)

REACTIONS