3-Aminophenol hemisulfate

CAT: 0127-OR1010906-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1010906-01Size:1 g

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CAS Number

68239-81-6

Purity

98%

Smiles

Nc1cccc(O)c1.Nc2cccc(O)c2.OS(=O)(=O)O

Chemical Information

m-Aminophenol sulfate

CAS Number	68239-81-6
PubChem CID	163205
IUPAC Name	bis(3-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(=CC(=C1)O)N.C1=CC(=CC(=C1)O)N.OS(=O)(=O)O

InChI

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

InChIKey

TVBNHNUPRXSKHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68239-81-6

CID: 163205

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
OR1024783-01	2-Aminophenol Hemisulfate Salt
OR16952-01	3-Aminophenol
OR1010907-01	3-Aminophenol Hydrochloride
OR1079149-01	3- (Ethylamino) phenol Hemisulfate
OR1012281-01	Aminoguanidine Hemisulfate
BUP19721	Adenine hemisulfate
OR1029986-01	Proflavine Hemisulfate
BUP01958-01	Lipoxamycin hemisulfate
BUP16314-01	MEG hemisulfate
BUP17278-01	Tranylcypromine hemisulfate

Catalog	Name
HY-B0883-01	3,6-Diaminoacridine (hemisulfate)
423962-01	3-Aminophenylboronic acid hemisulfate
sc-482117	3- (Ethylamino) phenol Hemisulfate
66472-86-4-01	(3-Aminophenyl) boric acid hemisulfate
IA17563-01	3-Amino-4-carbamoylpyrazole hemisulfate
A17778-01	3-Aminobenzene boronic acid hemisulfate
425972-01	3-Hydroxy-4-methylaniline hemisulfate
sc-238491	3-Aminophenylboronic acid hemisulfate salt
A7580	3-Aminobenzeneboronic Acid Hemisulfate Salt
sc-225937	3-Amino-4-pyrazolecarboxamide hemisulfate salt