Cas no 38338-86-2 (Benzenemethanol,4-amino-3,5-dibromo-a-[(dipropylamino)methyl]-)
![Benzenemethanol,4-amino-3,5-dibromo-a-[(dipropylamino)methyl]- structure](https://ossimg.kuujia.com/scimg/38500/38338-86-2x500.png)
38338-86-2 structure
Product Name:Benzenemethanol,4-amino-3,5-dibromo-a-[(dipropylamino)methyl]-
CAS No:38338-86-2
MF:C14H22Br2N2O
MW:394.145282268524
CID:319353
PubChem ID:217232
Update Time:2025-04-19
Benzenemethanol,4-amino-3,5-dibromo-a-[(dipropylamino)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,4-amino-3,5-dibromo-a-[(dipropylamino)methyl]-
- 1-(4-amino-3,5-dibromophenyl)-2-(dipropylamino)ethanol
- 38338-86-2
- BRN 2382788
- 4-Amino-3,5-dibromo-alpha-((dipropylamino)methyl)benzenemethanol
- Benzenemethanol, 4-amino-3,5-dibromo-alpha-((dipropylamino)methyl)-
- 1-(4-Amino-3,5-dibromophenyl)-2-(dipropylamino)ethan-1-ol
- DTXSID50959251
-
- Inchi： 1S/C14H22Br2N2O/c1-3-5-18(6-4-2)9-13(19)10-7-11(15)14(17)12(16)8-10/h7-8,13,19H,3-6,9,17H2,1-2H3
- InChI Key： HTBGSVLIHODMKK-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1)C(CN(CCC)CCC)O)Br)N
Computed Properties
- Exact Mass: 392.00996
- Monoisotopic Mass: 392.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 238
- 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
- XLogP3: 3.6
- Topological Polar Surface Area: 49.5?2
Experimental Properties
- PSA: 49.49
Benzenemethanol,4-amino-3,5-dibromo-a-[(dipropylamino)methyl]- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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