Cas no 1226149-53-6 (3-methyl-3-(3-methylphenyl)butan-1-amine)

3-Methyl-3-(3-methylphenyl)butan-1-amine is a branched primary amine featuring both aromatic and aliphatic structural components. Its unique molecular architecture, combining a substituted phenyl ring with a tertiary butylamine group, makes it a versatile intermediate in organic synthesis and pharmaceutical applications. The compound exhibits moderate lipophilicity, enhancing its utility in solubility-driven formulations. Its stability under standard conditions and compatibility with common reaction conditions, such as reductive amination and alkylation, further broaden its applicability. The presence of the methyl substituents on both the phenyl ring and the butyl chain may influence steric and electronic properties, potentially optimizing its performance in targeted synthetic pathways.
3-methyl-3-(3-methylphenyl)butan-1-amine structure
1226149-53-6 structure
Product Name:3-methyl-3-(3-methylphenyl)butan-1-amine
CAS No:1226149-53-6
MF:C12H19N
MW:177.28596329689
CID:5855828
PubChem ID:79002187
Update Time:2025-06-07

3-methyl-3-(3-methylphenyl)butan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-3-(3-methylphenyl)butan-1-amine
    • 1226149-53-6
    • EN300-1838001
    • AKOS017515694
    • Inchi: 1S/C12H19N/c1-10-5-4-6-11(9-10)12(2,3)7-8-13/h4-6,9H,7-8,13H2,1-3H3
    • InChI Key: JDXJZQJROMEOCM-UHFFFAOYSA-N
    • SMILES: NCCC(C)(C)C1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 177.151749610g/mol
  • Monoisotopic Mass: 177.151749610g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26?2

3-methyl-3-(3-methylphenyl)butan-1-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1838001-0.05g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
0.05g
$707.0 2023-09-19
Enamine
EN300-1838001-0.1g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
0.1g
$741.0 2023-09-19
Enamine
EN300-1838001-0.25g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
0.25g
$774.0 2023-09-19
Enamine
EN300-1838001-0.5g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
0.5g
$809.0 2023-09-19
Enamine
EN300-1838001-1.0g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
1g
$1299.0 2023-06-04
Enamine
EN300-1838001-2.5g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
2.5g
$1650.0 2023-09-19
Enamine
EN300-1838001-5.0g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
5g
$3770.0 2023-06-04
Enamine
EN300-1838001-10.0g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
10g
$5590.0 2023-06-04
Enamine
EN300-1838001-1g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
1g
$842.0 2023-09-19
Enamine
EN300-1838001-5g
3-methyl-3-(3-methylphenyl)butan-1-amine
1226149-53-6
5g
$2443.0 2023-09-19
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