Cas no 76450-91-4 (2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-)
![2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- structure](https://ossimg.kuujia.com/scimg/76500/76450-91-4x500.png)
76450-91-4 structure
Product Name:2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
CAS No:76450-91-4
MF:C14H24N2O
MW:236.353163719177
CID:537778
PubChem ID:435204
Update Time:2025-04-19
2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
- 1-amino-3-[benzyl(butyl)amino]propan-2-ol
- SCHEMBL11149069
- 76450-91-4
- DTXSID50331093
-
- Inchi： 1S/C14H24N2O/c1-2-3-9-16(12-14(17)10-15)11-13-7-5-4-6-8-13/h4-8,14,17H,2-3,9-12,15H2,1H3
- InChI Key： BSDRQPMIUNUCHD-UHFFFAOYSA-N
- SMILES： OC(CN)CN(CC1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 236.18902
- Monoisotopic Mass: 236.188863393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 181
- 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: 1.5
- Topological Polar Surface Area: 49.5?2
Experimental Properties
- PSA: 49.49
2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
76450-91-4 (2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-) Related Products
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