3-Pentanamine, 2,4-dimethyl-

HCID 77702CAS 4083-57-2

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Basic information

Standard SMILES: CC(C)C(N)C(C)C
InChIKey: FATQVQVMXNESGD-UHFFFAOYSA-N
Molecular formula: C7H17N
Average molar mass: 115.22 g/mol
Monoisotopic mass: 115.13609954

Overview

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.

Names & identifiers

Preferred name: 3-Pentanamine, 2,4-dimethyl-
IUPAC: 2,4-dimethylpentan-3-amine
English name: 2,4-Dimethyl-3-pentylamine; >98%discontinued
Molecular formula: C7H17N
Molecular weight: 115.22

Names & synonyms

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

Show more names

>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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 49.4

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point: 125 · 125-127°
Density: 0.7882 · 0.7882
EPA Substance Registry System: 3 · 3-Pentanamine, 2,4-dimethyl- (4083-57-2)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
RIDADR: 2924 · 2924
TSCA: TSCA listed
HazardClass: 3.1 · 3.1
PackingGroup: II
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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%)

Safety data

tsca: TSCA listed
ridadr: 2924
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_class: 3.1
packing_group: II
Hazard statements: H225-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Uses & manufacturing

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

Suppliers17 total

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]

Additional notes

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