Phenol, 4-amino-2-methyl-, sulfate (2:1)

HCID 78426

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4698-30-0
Standard SMILES: Cc1cc(N)ccc1O.Cc1cc(N)ccc1O.O=S(=O)(O)O
InChIKey: UKRWQRGQHBHTHZ-UHFFFAOYSA-N
Molecular formula: C14H20N2O6S
Average molar mass: 344.39 g/mol
Monoisotopic mass: 344.10420754

Names & identifiers

Preferred name: Phenol, 4-amino-2-methyl-, sulfate (2:1)
IUPAC: bis(4-amino-2-methylphenol);sulfuric acid

Names & synonyms

Phenol, 4-amino-2-methyl-, sulfate (2:1) (salt)DTXSID6063565Phenol, 4-amino-2-methyl-, sulfate (2:1)RefChem:172813DTXCID20405274698-30-0Sulfuric acid--4-amino-2-methylphenol (1/2)

Database identifiers

CAS: 4698-30-0
PubChem CID: 78426
DTXSID: DTXSID6063565

Properties

Computed structural properties

Topological polar surface area: 175 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 0
Heavy atoms: 23
Formal charge: 0
Complexity: 176

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 4-amino-2-methyl-, sulfate (2:1): INACTIVE

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…