CAS 150-68-5|monuron|3-(p-CHLOROPHENYL)-1,1-DIMETHYLUREA, 80%|1-(4-chlorophenyl)-3,3-dimethylurea|灭草隆|3-(4-氯苯基)-1,1-二甲基脲|Monuron|3-(4-Chlorophenyl)-1,1-dimethylurea|灭草隆|N-(4-氯苯基)二甲...

General Information

Structure

Molecular Formula

C₉H₁₁ClN₂O

Molecular Mass

198.64944

Exact Mass

198.05599066

Charge

InChI

InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChIKey

BMLIZLVNXIYGCK-UHFFFAOYSA-N

Canonic Smiles

CN(C(=O)Nc1ccc(cc1)Cl)C

Isomeric Smiles

CN(C)C(=O)Nc1ccc(Cl)cc1

Calculated Properties

JChem

Acid pKa

13.435819

H Acceptors

H Donor

LogD (pH = 5.5)

1.9288075

LogD (pH = 7.4)

1.928807

Log P

1.9288075

Molar Refractivity

54.1959

Polarizability

20.065592

Polar Surface Area

32.34

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

monuron

Synonyms

3-(p-CHLOROPHENYL)-1,1-DIMETHYLUREA, 80%灭草隆3-(4-氯苯基)-1,1-二甲基脲Monuron3-(4-Chlorophenyl)-1,1-dimethylurea灭草隆N-(4-氯苯基)二甲基脲MonuronN-(4-Chlorophenyl)-N',N'-dimethylurea

IUPAC name

1-(4-chlorophenyl)-3,3-dimethylurea

Names and Identifiers

Registration numbers

CAS Number

150-68-5

PubChem SID

162096943248600952486225124899245

PubChem CID

Beilstein Number

EC Number

MDL Number

Merck Index

Registration numbers

Properties

Physical Property

173-174 °C(lit.)

170-176°C

1.270

Pharmacology Properties

human ... EPHX2(2053)mouse ... Ephx2(13850)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05214845

MP Biomedicals Rare Chemical collection

Sigma Aldrich

332992

Packaging
500 g in flnt glass

36174

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

monuron

Synonyms

IUPAC name

1-(4-chlorophenyl)-3,3-dimethylurea

Registration numbers

CAS Number

150-68-5

PubChem SID

162096943248600952486225124899245

PubChem CID

Beilstein Number

EC Number

MDL Number

Merck Index

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

332992

Packaging
500 g in flnt glass

36174

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Physical Property

173-174 °C(lit.)

170-176°C

1.270

Pharmacology Properties

human ... EPHX2(2053)mouse ... Ephx2(13850)

Molecule

ID:110397