1-Isopropyl-2-methylpropylamin

3-Pentanamine, 2,4-dimethyl-

HCID 77702CAS 4083-57-2

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Grundinformationen

Standard-SMILES: CC(C)C(N)C(C)C
InChIKey: FATQVQVMXNESGD-UHFFFAOYSA-N
Summenformel: C7H17N
Durchschnittliche Molmasse: 115,22 g/mol
Monoisotopische Masse: 115,13609954

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 3-Pentanamine, 2,4-dimethyl-
IUPAC: 2,4-dimethylpentan-3-amine
Lokaler Name: 1-Isopropyl-2-methylpropylamin
Englischer Name: 2,4-Dimethyl-3-pentylamine; >98%discontinued
Summenformel: C7H17N
Molmasse: 115.22

Namen und Synonyme

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

Weitere Namen anzeigen

>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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 49,4

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Siedepunkt: 125 · 125-127°
Dichte: 0.7882 · 0.7882
EPA chemische Informationen: 3 · 3-Pentanamine, 2,4-dimethyl- (4083-57-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

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

Anbieter17 Anbieter

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]

Ergänzende Hinweise

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