chempirical

2-Aminomethyl-1,4-benzodioxane

C9H11NO2CAS 4442-59-5165.19 g/mol

Open in Covalent MOL file
H2NOO
EtherPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
184–188 °C
Boiling point
127–137 °C (at 4 Torr)
logP
0.79Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
4442-59-5
SMILES
NCC1COc2ccccc2O1
InChIKey
JHNURUNMNRSGRO-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-
  • 1,4-Benzodioxan-2-methylamine
  • 1,4-Benzodioxan, 2-(aminomethyl)-
  • 2,3-Dihydro-1,4-benzodioxin-2-methanamine
  • Fourneau 946
  • 2-(Aminomethyl)-1,4-benzodioxan
  • LP 1
  • LP 1 (pharmaceutical)
  • 1,4-Benzodioxane-2-methylamine
  • 2-Aminomethyl-2,3-dihydro-1,4-benzodioxin
  • [(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]amine
  • NSC 116045
  • N-[(2,3-Dihydrobenzo[1,4]dioxin-2-yl)methyl]amine
  • [(2,3-Dihydro-1,4-benzdioxin-2-yl)methyl]amine
  • (±)-2-(Aminomethyl)-1,4-benzodioxane
  • (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanamine
  • 2,3-Dihydro-1,4-benzodioxin-2-ylmethanamine
  • (2,3-Dihydro-1,4-benzodioxin-2-yl)methanamine
  • 2,3-Dihydro-1,4-benzodioxin-3-ylmethanamine

Work with 2-Aminomethyl-1,4-benzodioxane

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

2-(Bromomethyl)-1,4-benzodioxane2164-34-361 % similar 2,3-Dihydro-1,4-benzodioxin-2-methanol3663-82-961 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-446 % similar 1,4-Benzodioxane-2-carboxylic acid34385-93-842 % similar 1,4-Benzodioxane-2-carboxylic acid3663-80-742 % similar O-Cresyl glycidyl ether2210-79-942 % similar 2-[(1-Naphthalenyloxy)methyl]oxirane2461-42-941 % similar 2-[([1,1′-Biphenyl]-2-yloxy)methyl]oxirane7144-65-241 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6

Elsewhere

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