4-Aminophenol 98% Extrapure

CAT: 1278-00166 00100Size: 100 gDry Ice: NoHazardous: No

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CAT#:1278-00166 00100Size:100 g

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CAS Number

123-30-8

HS Code

29222913

Packaging Group

Chemical Information

4-Aminophenol

4-aminophenol is an amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. It has a role as a metabolite and an allergen.

CAS Number	123-30-8
PubChem CID	403
IUPAC Name	4-aminophenol
Molecular Formula	C6H7NO
Molecular Weight	109.13
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

C1=CC(=CC=C1N)O

InChI

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

InChIKey

PLIKAWJENQZMHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-30-8

CID: 403

Formula: C6H7NO

MW: 109.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	109.13
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	109.052763847
Monoisotopic Mass	109.052763847
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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	1
Compound Is Canonicalized	Yes

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4-Aminophenol 98% Extrapure

Chemical Information

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