2-アミノペンタン

2-Pentanamine

HCID 12246CAS 41444-43-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCC(C)N
InChIKey: IGEIPFLJVCPEKU-UHFFFAOYSA-N
分子式: C5H13N
平均分子量: 87.16 g/mol
単同位体質量: 87.10479942

名称と識別子

優先名称: 2-Pentanamine
IUPAC: pentan-2-amine
現地名: 2-アミノペンタン
英語名: 2-AMINOPENTANE
分子式: C5H13N
分子量: 87.16

名称と別名

63493-28-72-Pentylamine2-Pentanamine1-METHYLBUTYLAMINEsec-Amylamine1-Methyl-n-butylamineButylamine, 1-methyl-DL-2-AminopentaneMethylpropylcarbinylamineNSC 6367QH0285API3NSC-6367

名称をさらに表示

2-アミノペンタン2-Methylbutylamine2-AMYLAMINE2-AMINOPENTANEsec-pentylamine2-Aminopentane>2-AMINOPENTANE HCL(+/-)-2-pentanamin

(1)-1-MethylbutylamineEINECS 210-886-2EINECS 264-269-8DTXSID50870715RefChem:477803Butylamine, 1-methyl-(8CI)DTXCID10818411210-886-2

データベース識別子

CAS: 41444-43-3、625-30-9、63493-28-7
PubChem CID: 12246
DTXSID: DTXSID50870715
UNII: QH0285API3
EC Number: 210-886-2、255-366-6、264-269-8
Nikkaji: J129.194G

物性

構造計算による物性

XLogP: 1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 27

物理化学的性質

融点: 32 · 32-34 °C
沸点: 90.5 · 90.5-91.5 °C (lit.)
比重(密度): 0.736 g/mL · 0.736 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4020(lit.)
闪点: 95 °F · 95 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 11.04 · 11.04±0.35(Predicted)
外見: clear liquid
色: Colorless to Light yellow to Light orange
JECFA Number: 1586 · 1586
BRN: 635657 · 635657
InChI: 1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKey: IGEIPFLJVCPEKU-UHFFFAOYSA-N
SMILES: CCCC(C)N
LogP: 1.41 · 1.410 (est)
CAS データベース: 63493 · 63493-28-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Pentanamine (63493-28-7)

化学的性質

化学的特性Clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.