Cas no 119802-68-5 (3-Chloro-alpha-1-(1,1-dimethylethyl)aminoethylbenzenemethanol)
119802-68-5 structure
Product Name:3-Chloro-alpha-1-(1,1-dimethylethyl)aminoethylbenzenemethanol
CAS No:119802-68-5
MF:C13H20ClNO
MW:241.757002830505
CID:63449
PubChem ID:445
Update Time:2025-04-18
3-Chloro-alpha-1-(1,1-dimethylethyl)aminoethylbenzenemethanol Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol
- 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
- Bupropion metabolite A
- MIXTURE OF ERYTHRO &
- THREO-2-(T-BUTYLAMINO)1-(3-CHLOROPHENYL) PROPANOL
- Dihydrobupropion
- erythrohydrobupropion
- NS00003757
- FT-0696604
- SCHEMBL1226819
- ERYTHRO-HYDROBUPROPION(ACTIVE)
- EN300-11708314
- CHEMBL1304
- FT-0666913
- AS-6119
- AKOS015914528
- 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-1-propanol
- FT-0666914
- threohydrobupropion
- DTXSID50923119
- 119802-68-5
- 99102-04-2
- 3-Chloro-alpha-1-(1,1-dimethylethyl)aminoethylbenzenemethanol
-
- Inchi： 1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
- InChI Key： NDPTTXIBLSWNSF-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C(C(C)NC(C)(C)C)O
Computed Properties
- Exact Mass: 241.1235
- Monoisotopic Mass: 241.1233420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- Density: 1.078
- PSA: 32.26
3-Chloro-alpha-1-(1,1-dimethylethyl)aminoethylbenzenemethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C276725-50mg |
3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol |
119802-68-5 | 50mg |
$ 185.00 | 2022-04-01 | ||
| TRC | C276725-100mg |
3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol |
119802-68-5 | 100mg |
$ 305.00 | 2022-04-01 | ||
| TRC | C276725-250mg |
3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol |
119802-68-5 | 250mg |
$ 605.00 | 2022-04-01 | ||
| Enamine | EN300-11708314-1.0g |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 1g |
$0.0 | 2023-06-08 | ||
| Enamine | EN300-11708314-50mg |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 50mg |
$299.0 | 2023-10-03 | ||
| Enamine | EN300-11708314-100mg |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 100mg |
$314.0 | 2023-10-03 | ||
| Enamine | EN300-11708314-250mg |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 250mg |
$328.0 | 2023-10-03 | ||
| Enamine | EN300-11708314-500mg |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 500mg |
$341.0 | 2023-10-03 | ||
| Enamine | EN300-11708314-1000mg |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 1000mg |
$355.0 | 2023-10-03 | ||
| Enamine | EN300-11708314-2500mg |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
119802-68-5 | 2500mg |
$697.0 | 2023-10-03 |
3-Chloro-alpha-1-(1,1-dimethylethyl)aminoethylbenzenemethanol Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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