chempirical

α-(Aminomethyl)-2-furanmethanol

C6H9NO2CAS 2745-22-4127.14 g/mol

Open in Covalent MOL file
H2NHOO
AlcoholPrimary amine

Properties

Molecular formula
C6H9NO2
Molar mass
127.14 g/mol
Exact mass
127.0633 Da
Melting point
87 °C
Boiling point
108 °C (at 1 Torr)
logP
0.27Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2745-22-4
SMILES
NCC(O)c1ccco1
InChIKey
JWQAFPHYLSGNSK-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2

Weigh it out

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

Names and synonyms

7 names
  • 2-Furanmethanol, α-(aminomethyl)-
  • Furfuryl alcohol, α-(aminomethyl)-
  • 2-Amino-1-(2-furyl)ethanol
  • 2-Amino-1-(furan-2-yl)ethan-1-ol
  • 2-(1-Hydroxy-2-aminoethyl)-furan
  • 2-Amino-1-(furan-2-yl)ethanol
  • 2-Furanmethanol, alpha-(aminomethyl)-

Work with α-(Aminomethyl)-2-furanmethanol

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

Similar compounds

(-)-Phenylethanolamine2549-14-650 % similar (1S)-2-Amino-1-phenylethan-1-ol56613-81-150 % similar Phenylethanolamine7568-93-650 % similar α-Methyl-2-furanmethanol4208-64-445 % similar Octopamine104-14-342 % similar (±)-Norepinephrine138-65-839 % similar Noradrenaline51-41-239 % similar (±)-Octopamine hydrochloride770-05-839 % similar

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

Same formula

1-Methylethyl 2-cyanoacetate13361-30-3 (1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid134003-04-6 Propyl cyanoacetate14447-15-5 Ethyl 2-cyanopropanoate1572-99-2 3,5-Dimethyl-4-isoxazolemethanol19788-36-4 (1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid22255-16-9 5-Ethoxy-4-methyloxazole5006-20-2 1-Acetyl-2-pyrrolidone932-17-2

Elsewhere

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