2,4-ジメチル-3-ペンタンアミン

3-Pentanamine, 2,4-dimethyl-

HCID 77702CAS 4083-57-2

基本情報

標準SMILES: CC(C)C(N)C(C)C
InChIKey: FATQVQVMXNESGD-UHFFFAOYSA-N
分子式: C7H17N
平均分子量: 115.22 g/mol
単同位体質量: 115.13609954

概要

2,4-dimethylpentan-3-amine is a primary aliphatic amine that is pentan-3-amine substituted by methyl groups at positions 2 and 4. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

名称と識別子

優先名称: 3-Pentanamine, 2,4-dimethyl-
IUPAC: 2,4-dimethylpentan-3-amine
現地名: 2,4-ジメチル-3-ペンタンアミン
英語名: 2,4-Dimethyl-3-pentylamine; >98%discontinued
分子式: C7H17N
分子量: 115.22

名称と別名

3-Pentanamine, 2,4-dimethyl-1-Isopropyl-2-methylpropylamine2,4-dimethyl-3-pentanamine2,4-DIMETHYL-3-PENTYLAMINEEINECS 223-809-2DTXSID0063288RefChem:504724DTXCID4039819223-809-22,4-dimethylpentan-3-amine4083-57-23-Amino-2,4-dimethylpentane

名称をさらに表示

2,4-ジメチル-3-ペンタンアミン2,4-ジメチルペンタン-3-アミン1-イソプロピル-2-メチルプロピルアミン>98%DISCONTINUED2,4-dimethyl-3-pentanamin2,4-Dimethylpentane-3-amine3-pentanamine,2,4-dimethyl-

(1-isopropyl-2-methylpropyl)amineMFCD000150412,4-dimethyl-3-aminopentane2,4-dimethylpent-3-ylamineSCHEMBL43238SCHEMBL1494093SCHEMBL2429976CHEBI:84245

データベース識別子

CAS: 4083-57-2
PubChem CID: 77702
DTXSID: DTXSID0063288
ChEBI: CHEBI:84245
EC Number: 223-809-2
Nikkaji: J217.890G

物性

構造計算による物性

XLogP: 2
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: 8
形式電荷: 0
複雑度: 49.4

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

沸点: 125 · 125-127°
比重(密度): 0.7882 · 0.7882
EPAの化学物質情報: 3 · 3-Pentanamine, 2,4-dimethyl- (4083-57-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (66.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2,4-Dimethyl-3-pentylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (66.7%)

安全データ

tsca: TSCA listed
ridadr: 2924
hazard_class: 3.1
packing_group: II

化学と産業

用途と製造

General Manufacturing Information3-Pentanamine, 2,4-dimethyl-: INACTIVE

サプライヤー17 社

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

济南德迈医药科技有限公司18669728830 15806766175 · [email protected]

南京世洲生物科技有限公司13675144456 · [email protected]

铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]

補足説明

定義ChEBI: A primary aliphatic amine that is pentan-3-amine substituted by methyl groups at positions 2 and 4. Metabolite observed in cancer metabolism.