1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)

C₇H₁₄N₂O₆SCAS 123333-56-2254.26 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₇H₁₄N₂O₆S
Molar mass: 254.26 g/mol
Exact mass: 254.0573 Da
logP: -0.62Crippen estimate
Polar surface area: 167.4 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 1

Identifiers

CAS number

123333-56-2

SMILES

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

InChIKey

JAYRYWNGILOCLN-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O.H2O4S.H2O/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4;/h2-4H,8-9H2,1H3;(H2,1,2,3,4);1H2

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

Names and synonyms

1 names

1,3-Benzenediamine, 4-methoxy-, sulfate (1:1), hydrate

Work with 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)

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 sulfate39156-41-791 % similar 2,5-Diaminoanisole sulfate66671-82-771 % similar 2,4-Diaminoanisole615-05-465 % similar 2,4-Diamino phenetole sulfate68015-98-564 % similar 2,4-Diaminoanisole dihydrochloride614-94-859 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-859 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-455 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-355 % similar

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

Elsewhere

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