(3R)-Tetrahydro-3-furanmethanamine

C₅H₁₁NOCAS 1048962-82-8101.15 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₅H₁₁NO
Molar mass: 101.15 g/mol
Exact mass: 101.0841 Da
logP: -0.02Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1048962-82-8

SMILES

C1COC[C@H]1CN

InChIKey

CINJIXGRSTYIHP-RXMQYKEDSA-N

InChI

InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2/t5-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(R)-1-Tetrahydrofuran-3-ylmethanamine

Work with (3R)-Tetrahydro-3-furanmethanamine

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 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.

(3S)-Tetrahydro-3-furanmethanamine1048962-84-0Enantiomer (Tetrahydrofuran-3-yl)methanamine165253-31-6Stereo not defined (Tetrahydrofuran-3-yl)methanamine hydrochloride184950-35-4Salt, stereo not defined

Similar compounds

4-Aminomethyltetrahydropyran130290-79-870 % similar (Oxetan-3-yl)methanamine6246-05-560 % similar (S)-Tetrahydrofuran-3-ylm...124391-75-950 % similar Tetrahydro-3-furanmethanol15833-61-150 % similar 3-(Bromomethyl)tetrahydrofuran165253-29-250 % similar 2-(Oxan-4-yl)ethan-1-amine65412-03-546 % similar Cyclopropanemethanamine2516-47-445 % similar 1,4-Cyclohexanedimethanamine2549-93-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 N-Methylmorpholine109-02-4 D-Beta-Prolinol110013-18-8 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7 1-Methyl-3-pyrrolidinol13220-33-2

Elsewhere

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