CAS 104-84-7|benzenemethanamine, 4-methyl-|(4-methylphenyl)methanamine|4-Methylbenzylamine|对甲基苄胺|p-Xylylamine|4-Methylbenzylamine|对甲苄胺|NSC 66562|p-Tolylmethanamine|((4-Methylphenyl)methyl)a...

General Information

Structure

Molecular Formula

C₈H₁₁N

Molecular Mass

121.17964

Exact Mass

121.08914936

Charge

InChI

InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3

InChIKey

HMTSWYPNXFHGEP-UHFFFAOYSA-N

Canonic Smiles

NCc1ccc(cc1)C

Isomeric Smiles

NCc1ccc(cc1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3805113

LogD (pH = 7.4)

-0.48397714

Log P

1.6124357

Molar Refractivity

39.5726

Polarizability

15.514652

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

benzenemethanamine, 4-methyl-

IUPAC name

(4-methylphenyl)methanamine

Synonyms

4-Methylbenzylamine对甲基苄胺p-Xylylamine4-Methylbenzylamine对甲苄胺NSC 66562p-Tolylmethanamine((4-Methylphenyl)methyl)aminep-Methylbenzenemethanamine(4-Methylphenyl)methanaminep-Methylbenzylamine4-甲基苄胺

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

EC Number

Beilstein Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

M31201

Packaging
25, 100 g in glass bottle

TRC

M289015

4-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants. 4-Methylbenzylamine has been shown to stimulate food consumption and counteract the hypophagic effects of amphetamine acting on

Molecule Details

References

PubChem Literature

From Data Sources

• Pirisino, R. et al.: Br. J. Pharmacol., 147, 218 (2006)

• Raimondi, L. et al.: Inflammopharmacology, 11, 189 (2006)

• Obniska, J. et al.: Farmaco, 60, 529 (2006)

References

Bioactivity

PubChem BioAssay

Bioactivity