Cas no 953715-40-7 (3-(Aminomethyl)-N-isopropylbenzenesulfonamide)
3-(Aminomethyl)-N-isopropylbenzenesulfonamide is a sulfonamide derivative featuring both an aminomethyl and an isopropyl substituent on the benzene ring. This compound is of interest in medicinal and synthetic chemistry due to its versatile functional groups, which enable its use as a building block for pharmacologically active molecules. The sulfonamide moiety enhances binding affinity in biological systems, while the aminomethyl group provides a reactive site for further derivatization. Its structural properties make it suitable for applications in drug discovery, particularly in the development of enzyme inhibitors or receptor modulators. The compound exhibits moderate solubility in polar organic solvents, facilitating its handling in synthetic workflows.
953715-40-7 structure
Product Name:3-(Aminomethyl)-N-isopropylbenzenesulfonamide
CAS No:953715-40-7
MF:C10H16N2O2S
MW:228.311241149902
MDL:MFCD09735338
CID:1081461
PubChem ID:16788568
Update Time:2025-06-07
3-(Aminomethyl)-N-isopropylbenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- 3-(Aminomethyl)-N-isopropylbenzenesulfonamide
- 3-(aminomethyl)-N-propan-2-ylbenzenesulfonamide
- AKOS000143577
- CS-0245810
- 953715-40-7
- 4-PhenoxybutyricAcid
- SB79725
- Z278051928
- EN300-31176
- DTXSID40588519
- 3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide
- G40945
- 3-Aminomethyl-N-isopropylbenzenesulfonamide
- DB-348122
-
- MDL： MFCD09735338
- Inchi： 1S/C10H16N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,7,11H2,1-2H3
- InChI Key： RBLLZFKXJIFDCL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(CN)C=1)(NC(C)C)(=O)=O
Computed Properties
- Exact Mass: 228.09300
- Monoisotopic Mass: 228.09324893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 282
- 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: 0.5
- Topological Polar Surface Area: 80.6?2
Experimental Properties
- Density: 1.18
- Boiling Point: 379.4°C at 760 mmHg
- Flash Point: 183.3°C
- Refractive Index: 1.547
- PSA: 80.57000
- LogP: 3.00400
3-(Aminomethyl)-N-isopropylbenzenesulfonamide Customs Data
- HS CODE：2935009090
- Customs Data：
China Customs Code:
2935009090Overview:
2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%
Declaration elements:
Product Name, component content, use to
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
3-(Aminomethyl)-N-isopropylbenzenesulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019088424-1g |
3-(Aminomethyl)-N-isopropylbenzenesulfonamide |
953715-40-7 | 95% | 1g |
$438.88 | 2023-08-31 | |
| TRC | A639800-25mg |
3-(Aminomethyl)-n-isopropylbenzenesulfonamide |
953715-40-7 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A639800-50mg |
3-(Aminomethyl)-n-isopropylbenzenesulfonamide |
953715-40-7 | 50mg |
$ 95.00 | 2022-06-07 | ||
| TRC | A639800-250mg |
3-(Aminomethyl)-n-isopropylbenzenesulfonamide |
953715-40-7 | 250mg |
$ 320.00 | 2022-06-07 | ||
| Enamine | EN300-31176-0.05g |
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide |
953715-40-7 | 92.0% | 0.05g |
$76.0 | 2025-02-20 | |
| Enamine | EN300-31176-0.1g |
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide |
953715-40-7 | 92.0% | 0.1g |
$113.0 | 2025-02-20 | |
| Enamine | EN300-31176-0.25g |
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide |
953715-40-7 | 92.0% | 0.25g |
$162.0 | 2025-02-20 | |
| Enamine | EN300-31176-0.5g |
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide |
953715-40-7 | 92.0% | 0.5g |
$310.0 | 2025-02-20 | |
| Enamine | EN300-31176-1.0g |
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide |
953715-40-7 | 92.0% | 1.0g |
$414.0 | 2025-02-20 | |
| Enamine | EN300-31176-2.5g |
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide |
953715-40-7 | 92.0% | 2.5g |
$810.0 | 2025-02-20 |
3-(Aminomethyl)-N-isopropylbenzenesulfonamide Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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