4-Hydroxybenzyl cyanide

CAT: 0804-HY-W015823-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W015823-01Size:5 g

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Description

4-Hydroxybenzyl cyanide is an endogenous metabolite.

CAS Number

14191-95-8

UNSPSC

12352005

Hazard Statement

H302

Target

Endogenous Metabolite

Type

Natural Products

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/4-hydroxybenzyl-cyanide.html

Purity

98.68

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

N#CCC1=CC=C(O)C=C1

Molecular Formula

C8H7NO

Molecular Weight

133.15

Precautions

H302

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

4-Hydroxybenzyl cyanide

(4-hydroxyphenyl)acetonitrile is a hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4. It has a role as a plant metabolite.

CAS Number	14191-95-8
PubChem CID	26548
IUPAC Name	2-(4-hydroxyphenyl)acetonitrile
Molecular Formula	C8H7NO
Molecular Weight	133.15
XLogP	1.5
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	139

SMILES

C1=CC(=CC=C1CC#N)O

InChI

InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

InChIKey

AYKYOOPFBCOXSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14191-95-8

CID: 26548

Formula: C8H7NO

MW: 133.15

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	133.15
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	133.052763847
Monoisotopic Mass	133.052763847
Topological Polar Surface Area	44 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
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

Related Products

Catalog	Name
HY-Y0892-01	4-Hydroxybenzyl alcohol
HY-18775-01	N6- (4-Hydroxybenzyl) adenosine
HY-N8115-01	S- (4-Hydroxybenzyl) glutathione
HY-Y0892R-01	4-Hydroxybenzyl alcohol (Standard)
HY-Y0661-01	4-Methylbenzyl cyanide
HY-W017390-01	4-Chlorobenzyl cyanide
HY-W017390S	4-Chlorobenzyl cyanide-d4
HY-N8917	(3R) -7-hydroxy-3- (4-hydroxybenzyl) chromane
HY-N8192-01	5-Hydroxy-3- (4-hydroxybenzyl) -7-methoxychroman-4-one
HY-154723	2’-Deoxy-2’-fluoro-N3- (4-hydroxybenzyl) uridine

Alternative Products

Catalog	Name
C6802-500	4-Hydroxybenzyl cyanide
108760 25	4-Hydroxybenzyl cyanide (4-Hydroxyphenylacetonitrile)
MBS6104771-01	4-Hydroxyphenylacetonitrile (4-Hydroxybenzyl Cyanide, 4-Hydroxy-benzeneacetonitrile)
FB55009-01	4-Benzyloxybenzyl cyanide
284063-01	4-Methylbenzoyl cyanide
sc-238906	4-Methylbenzyl cyanide
269381-01	4-Chlorobenzyl cyanide
263176-01	4-Bromobenzyl cyanide
sc-232791A	4-Isocyanatobenzyl cyanide
PC905326	4-Fluorobenzoyl cyanide

4-Hydroxybenzyl cyanide

Chemical Information

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