Tetrahydrofurfurylamine
Properties
- Molecular formula
- C5H11NO
- Molar mass
- 101.15 g/mol
- Exact mass
- 101.0841 Da
- Density
- 0.9792 g/mL (at 17 °C)
- Melting point
- 108–109 °C
- Boiling point
- 153 °C
- logP
- 0.12Crippen estimate
- Polar surface area
- 35.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation99.3% of notifiers
- H319 Causes serious eye irritation99.3% of notifiers
- H335 May cause respiratory irritation96.7% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
4795-29-3SMILES
NCC1CCCO1InChIKey
YNOGYQAEJGADFJ-UHFFFAOYSA-NInChI
InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
19 names · show all
- 2-Furanmethanamine, tetrahydro-
- Furfurylamine, tetrahydro-
- Tetrahydro-2-furanmethanamine
- 2-(Aminomethyl)tetrahydrofuran
- 2-Tetrahydrofurfurylamine
- (Tetrahydrofuran-2-ylmethyl)amine
- (±)-Tetrahydrofurfurylamine
- 2-Tetrahydrofuranmethanamine
- (RS)-(2-Tetrahydrofuryl)methylamine
- (RS)-2-Tetrahydrofurfurylamine
- C-(Tetrahydrofuran-2-yl)methylamine
- (2-Tetrahydrofurylmethyl)amine
- NSC 76037
- 1-(Tetrahydrofuran-2-yl)methanamine
- (Tetrahydrofuran-2-yl)methanamine
- N-[(Oxolan-2-yl)methyl]amine
- Tetrahydrofuran-2-methylamine
- Oxolan-2-ylmethylamine
- (Oxolan-2-yl)methanamine
Work with Tetrahydrofurfurylamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1-[(2S)-Oxetan-2-yl]methanamine2091328-57-170 % similar
Morpholin-2-yl-methylamine116143-27-250 % similar
2-(Bromomethyl)tetrahydrofuran1192-30-950 % similar
(R)-(-)-Tetrahydrofurfuryl alcohol22415-59-450 % similar
2-Chloromethyl tetrahydrofuran3003-84-750 % similar
Tetrahydrofurfuryl alcohol97-99-450 % similar
(2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-943 % similar
2-(Hydroxymethyl)tetrahydropyran100-72-142 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.