Cas no 105598-02-5 (1-(3-methylphenyl)butan-1-amine)
1-(3-Methylphenyl)butan-1-amine is a chiral amine compound featuring a butyl chain attached to a 3-methylphenyl group via an amine linkage. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. Its aromatic methyl substitution enhances steric and electronic properties, influencing reactivity in coupling and condensation reactions. The amine functionality allows for further derivatization, such as reductive amination or salt formation, improving solubility and bioavailability in drug development. The compound’s defined stereochemistry (if applicable) is advantageous for enantioselective synthesis. Suitable for controlled environments, it requires handling under inert conditions due to potential sensitivity to oxidation or moisture.
105598-02-5 structure
Product Name:1-(3-methylphenyl)butan-1-amine
CAS No:105598-02-5
MF:C11H17N
MW:163.259382963181
MDL:MFCD12154067
CID:126777
PubChem ID:45122504
Update Time:2025-10-30
1-(3-methylphenyl)butan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,3-methyl-a-propyl-
- Benzenemethanamine, 3-methyl--alpha--propyl-
- alpha-propyl-m-methylbenzylamine
- 1-(3-methylphenyl)butan-1-amine
-
- MDL： MFCD12154067
- Inchi： 1S/C11H17N/c1-3-5-11(12)10-7-4-6-9(2)8-10/h4,6-8,11H,3,5,12H2,1-2H3
- InChI Key： FZQMOGSNLHVEOQ-UHFFFAOYSA-N
- SMILES： NC(C1C=CC=C(C)C=1)CCC
Computed Properties
- Exact Mass: 163.136
- Monoisotopic Mass: 163.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26
1-(3-methylphenyl)butan-1-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-242100-0.05g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 0.05g |
$468.0 | 2024-06-19 | |
| Enamine | EN300-242100-0.1g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 0.1g |
$490.0 | 2024-06-19 | |
| Enamine | EN300-242100-0.25g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 0.25g |
$513.0 | 2024-06-19 | |
| Enamine | EN300-242100-0.5g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 0.5g |
$535.0 | 2024-06-19 | |
| Enamine | EN300-242100-1.0g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 1.0g |
$557.0 | 2024-06-19 | |
| Enamine | EN300-242100-2.5g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 2.5g |
$1089.0 | 2024-06-19 | |
| Enamine | EN300-242100-5.0g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 5.0g |
$1614.0 | 2024-06-19 | |
| Enamine | EN300-242100-10.0g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 95% | 10.0g |
$2393.0 | 2024-06-19 | |
| Enamine | EN300-242100-1g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 1g |
$557.0 | 2023-09-15 | ||
| Enamine | EN300-242100-5g |
1-(3-methylphenyl)butan-1-amine |
105598-02-5 | 5g |
$1614.0 | 2023-09-15 |
1-(3-methylphenyl)butan-1-amine Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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