4-Aminophenol-13C6

CAT: 0572-TRC-A618922-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-A618922-1MGSize:1 mg

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CAS Number

1246820-76-7

Synonyms

p-Aminophenol-3C6; 1-Amino-4-hydroxybenzene-3C6; 4-Amino-1-hydroxybenzene-3C6; 4-Hydroxy-1-aminobenzene-3C6; 4-Hydroxyaniline-3C6; 4-Hydroxybenzenamine-3C6; 4-Hydroxyphenylamine-3C6; Activol-3C6; Azol-3C6; Benzofur P-3C6; Certinal-3C6; Citol-3C6; Fouramine P-3C6; Fourrine 84-3C6; NSC 1545-3C6; Paranol-3C6; Rodinal-3C6; Unal-3C6; p-Hydroxyaniline-3C6; p-Hydroxyphenylamine-3C6;

Hazard Statement

Harmful if swallowed; UN number: UN2512; Packing Group: III

Purity

>95% (HPLC)

Smiles

[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1N)O

Molecular Formula

13C6H7NO

Molecular Weight

115.08

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4-Aminophenol-13C6

CAS Number	1246820-76-7
PubChem CID	71313329
IUPAC Name	4-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Molecular Formula	C6H7NO
Molecular Weight	115.082
XLogP	0
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1N)O

InChI

InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

PLIKAWJENQZMHA-IDEBNGHGSA-N

Chemical Structure

2D Structure

CAS: 1246820-76-7

CID: 71313329

Formula: C6H7NO

MW: 115.082

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	115.082
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	115.07289286
Monoisotopic Mass	115.07289286
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-A618980-5G	2-Aminophenol-4-sulfonamide

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sc-480518	4-Aminophenol-13C6
591920	4-Aminophenol
C8210-5	Biotin-4-aminophenol
GL2746-100g	4-Aminophenol hydrochloride

4-Aminophenol-13C6

Chemical Information

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