2-Butyl-2-ethyl-1,5-pentanediamine

HCID 4983344

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基本情報

CAS: 137605-95-9
標準SMILES: CCCCC(CC)(CN)CCCN
InChIKey: NDXNCTAJOQSKIO-UHFFFAOYSA-N
分子式: C11H26N2
平均分子量: 186.34 g/mol
単同位体質量: 186.20959884

名称と識別子

優先名称: 2-Butyl-2-ethyl-1,5-pentanediamine
IUPAC: 2-butyl-2-ethylpentane-1,5-diamine
英語名: 2-Butyl-2-ethyl-1 5-pentanediamine
分子式: C11H26N2
分子量: 186.34

名称と別名

2-Butyl-2-ethyl-1,5-pentanediamineRefChem:468103620-839-12-butyl-2-ethylpentane-1,5-diamine137605-95-92-BUTYL-2-ETHYL-1 5-PENTANEDIAMINESCHEMBL27421DTXSID20407234SBB0586212-ethyl-2-butylpentane-1,5-diamine2-butyl- 2-ethylpentane-1,5-diamineAKOS006228167

名称をさらに表示

2-butyl-2-ethyl-1,5-diaminopentane1,5-Pentanediamine, 2-butyl-2-ethyl-2-BUTYL-2-ETHYL-1,5-PENTANEDIAMINE 96+%

ST51033902

データベース識別子

CAS: 137605-95-9
PubChem CID: 4983344
DTXSID: DTXSID20407234
EC Number: 620-839-1
Nikkaji: J1.134.080F

物性

構造計算による物性

XLogP: 2
極性表面積: 52 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: 8
重原子数: 13
形式電荷: 0
複雑度: 115

物理化学的性質

沸点: 269 °C750 · 269 °C750 mm Hg(lit.)
比重(密度): 0.876 g/mL · 0.876 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.47(lit.)
闪点: 230 °F · >230 °F
酸解離定数(Pka): 10.68 · 10.68±0.15(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；STOT RE 2 (100%)；Aquatic Chronic 3 (100%)