3,4,5-Trimethylaniline

AlkaPlorer ID: AK254033

Synonym: 3,4,5-Trimethylbenzenamine, 5-Aminohemimellitene

IUPAC Name: 3,4,5-trimethylaniline

Structure

SMILES: CC1=CC(N)=CC(C)=C1C

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InChI: InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3

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InChIKey: BXCUMAUHMPSRPZ-UHFFFAOYSA-N

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Reference

PubChem CID: 74227

CAS: 1639-31-2

SuperNatural Ⅲ: SN0037874

COCONUT: CNP0214882

Source

Properties Information

Molecule Weight: 135.21

TPSA: 26.02

MolLogP: 2.1940600000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information