CAS 616-24-0 3-Pentanamine (HCID 12019)

Overview

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.

Names & identifiers

Preferred name: 3-Pentanamine
IUPAC: pentan-3-amine
English name: 3-Aminopentane
Molecular formula: C5H13N
Molecular weight: 87.16

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 23.1

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -70 °C · -70°C (estimate)
Boiling point: 89 · 89-91 °C(lit.)
Density: 0.748 g/mL · 0.748 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4055(lit.)
Flash point: 36 °F · 36 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.59 · 10.59(at 17℃)
form: Liquid
color: Clear colorless to faintly yellow
Water Solubility: soluble
Sensitive: Air Sensitive
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 DataBase Reference: 616 · 616-24-0(CAS DataBase Reference)
FDA UNII: 3 N2IT605HV · 3N2IT605HV
NIST Chemistry Reference: 3 · 3-Pentanamine(616-24-0)
EPA Substance Registry System: 3 · 3-Pentanamine (616-24-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: F,C
Risk Statements: 11 · 11-34-22
Safety Statements: 16 · 16-26-27-36/37/39-45
RIDADR: 2733 · UN 2733 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29211999 · 29211999
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Skin · Flam. Liq. 2Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (98%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
hs_code: 29211999
risk_code: 11-34-22
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H314
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Pentanamine: ACTIVE

Applications · 1 item

Uses1-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.