Phenol, 2,4-diamino-, sulfate (1:?)

C₆H₁₀N₂O₅SCAS 74283-34-4222.22 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₆H₁₀N₂O₅S
Molar mass: 222.22 g/mol
Exact mass: 222.0310 Da
logP: -0.10Crippen estimate
Polar surface area: 146.9 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

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+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

74283-34-4

SMILES

Nc1ccc(O)c(N)c1.O=S(=O)(O)O

InChIKey

JKMWKYDJCPSJSI-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O.H2O4S/c7-4-1-2-6(9)5(8)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

1 names

Phenol, 2,4-diamino-, sulfate (salt)

Work with Phenol, 2,4-diamino-, sulfate (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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dianol137-09-7Salt

Similar compounds

5-Amino-2-methylphenol sulfate183293-62-161 % similar Phenol, 2-amino-, sulfate (2:1)67845-79-861 % similar 2,4-Diaminoanisole sulfate39156-41-759 % similar 1,4-Benzenediamine sulfate16245-77-559 % similar 2,5-Diaminotoluene sulfate615-50-958 % similar 2-Chloro-p-phenylenediamine sulfate61702-44-158 % similar 2-Chloro-p-phenylenediamine sulfate6219-71-258 % similar 1,3-Phenylenediamine sulfate541-70-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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