2-Amino-4-[(2-hydroxyethyl)amino]anisole sulfate

C₉H₁₆N₂O₆SCAS 83763-48-8280.30 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine Secondary amine

Properties

Molecular formula: C₉H₁₆N₂O₆S
Molar mass: 280.30 g/mol
Exact mass: 280.0729 Da
Melting point: 148–149 °C
logP: 0.03Crippen estimate
Polar surface area: 142.1 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 4

Identifiers

CAS number

83763-48-8

SMILES

COc1ccc(NCCO)cc1N.O=S(=O)(O)O

InChIKey

GWHLYFOWAINYAH-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

3 names

Ethanol, 2-[(3-amino-4-methoxyphenyl)amino]-, sulfate (1:1)
Ethanol, 2-[(3-amino-4-methoxyphenyl)amino]-, sulfate (1:1) (salt)
2-Amino-4-(β-hydroxyethylamino)anisole sulfate

Work with 2-Amino-4-[(2-hydroxyethyl)amino]anisole sulfate

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

2,4-Diaminoanisole sulfate39156-41-758 % similar 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-254 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-849 % similar 2,5-Diaminoanisole sulfate66671-82-748 % similar 2-Aminoanisole-4-sulfonic acid98-42-046 % similar 5-[(2-Hydroxyethyl)amino]-1,3-benzodioxol81329-90-045 % similar 2,4-Diamino phenetole sulfate68015-98-544 % similar 3-Amino-4-methoxybenzenesulfonyl fluoride498-74-843 % similar

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

Elsewhere

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