3-Pentanamine (HCID 12019)

概要

Pentan-3-amine is a primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a pentane.

名称と識別子

優先名称: 3-Pentanamine
IUPAC: pentan-3-amine
現地名: 3-アミノペンタン
英語名: 3-Aminopentane
分子式: C5H13N
分子量: 87.16

名称と別名

3-AMINOPENTANE616-24-03-Pentanamine3-Pentylamine1-EthylpropylaminePropylamine, 1-ethyl-3N2IT605HVEINECS 210-471-6NSC 165575NSC-165575DTXSID8060662RefChem:504723

名称をさらに表示

3-アミノペンタン3-ペンチルアミン1-エチルプロピルアミン3-アミノペンタン, 98%3-PENTYLAMINE 98%3-Pentylamine,98%3-Aminopentane>A-ETHYLPROPYLAMINE3-AMINOPENTANE 98%

Propylamine, 1-ethyl-(8CI)DTXCID3043079pentan-3-amine1-Ethyl-propylamineMFCD00008096pent-3-ylamine3-AmylamineUNII-3N2IT605HV

データベース識別子

CAS: 616-24-0
PubChem CID: 12019
DTXSID: DTXSID8060662
ChEMBL: CHEMBL14178
ChEBI: CHEBI:84248
UNII: 3N2IT605HV
EC Number: 210-471-6
Nikkaji: J76K

物性

構造計算による物性

XLogP: 1.1
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: 23.1

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: -70 °C · -70°C (estimate)
沸点: 89 · 89-91 °C(lit.)
比重(密度): 0.748 g/mL · 0.748 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4055(lit.)
闪点: 36 °F · 36 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 10.59 · 10.59(at 17℃)
外見: 液体
色: 無色透明～微黄色
水溶解度: 溶ける
BRN: 635658 · 635658
InChI: 1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N
SMILES: CCC(N)CC
CAS データベース: 616 · 616-24-0(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Pentanamine(616-24-0)
EPAの化学物質情報: 3 · 3-Pentanamine (616-24-0)

化学的性質

化学的特性Clear colorless to faintly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 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 CategoriesFlam. Liq. 2 (98%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
hs_code: 29211999
risk_code: 11-34-22
化審法: (2)-133
消防法: 危-4-1-II
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information3-Pentanamine: ACTIVE

応用分野 · 1 件

使用1-Ethylpropylamine has been used:in the synthesis of (1-ethyl-propyl)-[3-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-yl]-aminein the synthesis of monoclinic VPO4·H2Oas internal standard in the screening of aziridine and 2-chloroethylamine in active pharmaceutical ingredients by gas chromatography-mass spectrometry.