CAS 4795-29-3 Tetrahydrofurfurylamine (HCID 253298)

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Basic information

CAS: 4795-29-3
Standard SMILES: NCC1CCCO1
InChIKey: YNOGYQAEJGADFJ-UHFFFAOYSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Overview

Tetrahydrofurfurylamine appears as a colorless to light yellow liquid. Insoluble in water and less dense than water. Used to make other chemicals and as a photographic chemical.

Names & identifiers

Preferred name: Tetrahydrofurfurylamine
IUPAC: oxolan-2-ylmethanamine
English name: 2-Tetrahydrofurfurylamine
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

Tetrahydrofurfurylamine4795-29-32-Tetrahydrofurfurylamine2-Furanmethanamine, tetrahydro-2-(Aminomethyl)tetrahydrofuranTetrahydro-2-furanmethanamine2-AminomethyltetrahydrofuranFurfurylamine, tetrahydro-USAF Q-2NSC 76037EINECS 225-351-9BRN 0102729

Show more names

(tetrahydrofuran-2-yl)MethanaMineTHFAMFurosemide Impurity 61-(oxolan-2-yl)methanamineusafq-2AKOS BBS-000035872-TetrahydrofurfurylOxolane-2-methanamine

AI3-25429Tetrahydro-2-furanylmethylamine(tetrahydrofuran-2-ylmethyl)amine2-tetrahydrofuranmethanamine5-18-09-00488 (Beilstein Handbook Reference)(.+/-.)-TetrahydrofurfurylamineDTXSID40863454UN 2943

Database identifiers

CAS: 4795-29-3
PubChem CID: 253298
DTXSID: DTXSID40863454

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 2nd degree

SpringerMaterials PropertiesExcess enthalpy

Physical DescriptionTetrahydrofurfurylamine appears as a colorless to light yellow liquid. Insoluble in water and less dense than water. Used to make other chemicals and as a photographic chemical.

Physicochemical properties

Melting point: 136 °C · 136 °C
Boiling point: 153 · 153-154 °C744 mm Hg(lit.)
Density: 0.98 g/mL · 0.98 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.454(lit.)
Flash point: 114 °F · 114 °F
storage temp.: Flammables area
solubility: Chloroform, Methanol
pka: 9.47 · 9.47±0.29(Predicted)
form: Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19861

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid

Fire Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

DOT ID and Guide2943 129

Reactive GroupAmines, Phosphines, and Pyridines

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Furanmethanamine, tetrahydro-: ACTIVE

Applications · 3 items

UsesChemical intermediate, fine-grain photographic development, vulcanization accelerator.

UsesTetrahydro-2-furanmethanamine is used in the synthesis of novel topoisomerase I targeting anti-cancer agents with mild to potent cytotoxic activity. Also used in the discovery and synthesis of orally bioavailable stearoyl-CoA desaturase 1 inhibitors

General DescriptionA colorless to light yellow liquid. Insoluble in water and less dense than water. Flash point between 100 - 141°F. Used to make other chemicals and as a photographic chemical.