CAS 886-74-8|3-(4-chlorophenoxy)-2-hydroxypropyl carbamate|CHLORPHENESIN CARBAMATE|3-[4-Chlorophenoxy]-1,2-propanediol-1-carbamate|chlorphenesin carbamate|Chlorphenesin

C₁₀H₁₂ClNO₄

InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)

SKPLBLUECSEIFO-UHFFFAOYSA-N

OC(COC(=O)N)COc1ccc(cc1)Cl

NC(=O)OCC(O)COc1ccc(Cl)cc1

Acid pKa

13.586994

H Acceptors

H Donor

LogD (pH = 5.5)

1.2067622

LogD (pH = 7.4)

1.206762

Log P

1.2067622

Molar Refractivity

57.409

Polarizability

22.874603

Polar Surface Area

81.78

Rotatable Bonds

Lipinski's Rule of Five

true

3-(4-chlorophenoxy)-2-hydroxypropyl carbamate

CHLORPHENESIN CARBAMATE3-[4-Chlorophenoxy]-1,2-propanediol-1-carbamateChlorphenesin

IUPAC Traditional name

chlorphenesin carbamate

Unique Ingredient Identifier

Safety Statements

S:36/37/39

Storage Condition

Room Temperature (15-30°C)

RTECS

EZ2975000

MSDS Link

Download link

European Hazard Symbols

Harmful (Xn)

Risk Statements

R:22

Melting Point

88-91°C

86-92 °C (186.8-197.6°F)

Certificate of Analysis

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Pharmacology Properties

Excretion

urine

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02150662

m.p. 88-91°C
White crystalline powder
An antifungal agent and a smooth muscle relaxant.

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

3-(4-chlorophenoxy)-2-hydroxypropyl carbamate

Synonyms

CHLORPHENESIN CARBAMATE3-[4-Chlorophenoxy]-1,2-propanediol-1-carbamateChlorphenesin

IUPAC Traditional name

chlorphenesin carbamate

Registration numbers

EC Number

CAS Number

PubChem CID

CHEBI ID

CHEMBL

Wikipedia Title

KEGG ID

ATC CODE

Chemspider ID

Unique Ingredient Identifier

PubChem SID

Molecule Details

m.p. 88-91°C
White crystalline powder
An antifungal agent and a smooth muscle relaxant.

Wikipedia

Chlorphenesin

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Molecule

ID:103113