chempirical

Desglymidodrine

C10H15NO3CAS 3600-87-1197.23 g/mol

Open in Covalent MOL file
OOOHNH2
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H15NO3
Molar mass
197.23 g/mol
Exact mass
197.1052 Da
Melting point
95–96 °C
logP
0.70Crippen estimate
Polar surface area
64.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P308+P316, P321, P405, P501

Identifiers

CAS number
3600-87-1
SMILES
COc1ccc(OC)c(C(O)CN)c1
InChIKey
VFRCNXKYZVQYLX-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Deglymidodrine
  • Benzenemethanol, α-(aminomethyl)-2,5-dimethoxy-
  • Benzyl alcohol, α-(aminomethyl)-2,5-dimethoxy-
  • α-(Aminomethyl)-2,5-dimethoxybenzenemethanol
  • ST 1059
  • 1-(2,5-Dimethoxyphenyl)-2-aminoethanol
  • 2-Amino-1-(2,5-dimethoxyphenyl)ethanol
  • 2-Amino-1-(2′,5′-dimethoxyphenyl)ethanol
  • 2-Amino-1-(2,5-dimethoxyphenyl)ethan-1-ol

Work with Desglymidodrine

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

Midodrine hydrochloride3092-17-957 % similar Methoxamine hydrochloride61-16-551 % similar 2,5-Dimethoxybenzenemethanamine3275-95-449 % similar 2C-H3600-86-046 % similar 2,5-Dimethoxyaniline102-56-746 % similar 1,2,4-Trimethoxybenzene135-77-346 % similar 2,4-Dimethoxybenzylamine20781-20-845 % similar 2,5-Dimethoxybenzyl alcohol33524-31-145 % similar

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

Same formula

3,4,5-Trimethoxybenzylamine18638-99-8 Vinyl acetate-vinylpyrrolidone copolymer25086-89-9 N-Carbethoxy-4-tropinone32499-64-2 2-Carbomethoxytropinone36127-17-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook