CAS 321392-83-0|(4-methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride|(4-methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride|C-(4-Methyl-furazan-3-yl)-methylamine hydrochloride|(4-methyl-1,2,5-...

General Information

Structure

Molecular Formula

C₄H₈ClN₃O

Molecular Mass

149.57882

Exact Mass

149.03558957

Charge

InChI

InChI=1S/C4H7N3O.ClH/c1-3-4(2-5)7-8-6-3;/h2,5H2,1H3;1H

InChIKey

BUALBYKULRRUTR-UHFFFAOYSA-N

Canonic Smiles

Cc1nonc1CN.Cl

Isomeric Smiles

c1(nonc1C)CN.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.3106663

LogD (pH = 7.4)

-1.6294203

Log P

-1.0992984

Molar Refractivity

28.9713

Polarizability

10.633311

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

(4-methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride

IUPAC Traditional name

(4-methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride

Synonyms

C-(4-Methyl-furazan-3-yl)-methylamine hydrochloride(4-methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride3-AMINOMETHYL-4-METHYL-FURAZAN HYDROCHLORIDE

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC name

• IUPAC Traditional name

• Synonyms

Registration numbers

• CAS Number

• MDL Number

• PubChem CID

• PubChem SID

Properties

• Safety Information

• Physical Property

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:19057