O-Aminophenol sulfate

CAT: 0926-FA32594-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FA32594-01Size:5 g

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CAS Number

67845-79-8

Smiles

OC1=CC=CC=C1N.O=S (O) (O) =O

Molecular Formula

C12H16N2O6S

Molecular Weight

316.33 g/mol

Controlled

Chemical Information

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

CAS Number	67845-79-8
PubChem CID	91658960
IUPAC Name	bis(2-aminophenol);sulfuric acid
Molecular Formula	C12H16N2O6S
Molecular Weight	316.33
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	156

SMILES

C1=CC=C(C(=C1)N)O.C1=CC=C(C(=C1)N)O.OS(=O)(=O)O

InChI

InChI=1S/2C6H7NO.H2O4S/c2*7-5-3-1-2-4-6(5)8;1-5(2,3)4/h2*1-4,8H,7H2;(H2,1,2,3,4)

InChIKey

SHUIDGXTJAQFJO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67845-79-8

CID: 91658960

Formula: C12H16N2O6S

MW: 316.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.33
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	316.07290741
Monoisotopic Mass	316.07290741
Topological Polar Surface Area	175 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
NCA08498-01	4-Aminophenol sulfate (2:1)
AAA53120-01	O-Tolidine sulfate
AAA95646-01	L-Tyrosine o-sulfate
FA05467	4-Aminophenol
FA71182-01	2-Aminophenol
FC166591-01	Choline O-sulfate - D13 ,98%
FS183923-01	3'-O-Sulfate-epicatechin ammonium
REA43058-01	Olsalazine o-sulfate sodium salt
GAA29574	1-Naphthol-o-sulfate potassium
MN01694-01	Neocarrabiose-4-O-sulfate sodium

Catalog	Name
sc-495721	O-Aminophenol sulfate
OR1011431-01	4-Aminophenol Sulfate
MBS6102665-01	Serotonin O-Sulfate (5-Hydroxytryptamine O-Sulfate)
CS-T-43150	Tapentadol O-Sulfate
HY-156199	O-Cresol sulfate
453892-01	Lopinavir O-Sulfate
TRC-M385415-25MG	Mizolastine O-Sulfate
GTR19267315-01	Tyramine O-sulfate
T15185	O-Toluidine sulfate
AR-A07472-01	Atropine O-Sulfate