2-Aminophenol Hemisulfate Salt

CAT: 0127-OR1024783-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024783-01Size:5 g

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CAS Number

67845-79-8

Purity

98%

Smiles

O=S(O)(O)=O.OC1=CC=C(N)C=C1.OC2=CC=C(N)C=C2

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
OR1010906-01	3-Aminophenol hemisulfate
OR40733-01	2-Aminophenol
OR1077606	2-Aminophenol Hydrochloride
OR1074048-01	2-Allyl-6-aminophenol
OR95408-01	2-Aminophenol-4-sulfonamide
BUP19721	Adenine hemisulfate
BUP01958-01	Lipoxamycin hemisulfate
OR1029986-01	Proflavine Hemisulfate
BUP16314-01	MEG hemisulfate
OR1012281-01	Aminoguanidine Hemisulfate

Catalog	Name
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sc-214289	4,6-Diamino-2-hydroxypyrimidine hemisulfate salt
sc-214013	2,5-Diamino-4,6-dihydroxypyrimidine hemisulfate salt
MBS6030305-01	2-(4-Benzyloxy-indol-3-yl)ethanamine Hemisulfate Salt
sc-214285	4,5-Diamino-2-hydroxy-6-mercaptopyrimidine hemisulfate salt
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