Cas no 76450-93-6 (2-Propanol, 1-amino-3-(butylphenylamino)-)
76450-93-6 structure
Product Name:2-Propanol, 1-amino-3-(butylphenylamino)-
CAS No:76450-93-6
MF:C13H22N2O
MW:222.326583385468
CID:537777
PubChem ID:64584986
Update Time:2025-04-19
2-Propanol, 1-amino-3-(butylphenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-amino-3-(butylphenylamino)-
- 1-amino-3-(N-butylanilino)propan-2-ol
- 76450-93-6
- AKOS013910449
- DTXSID10734788
- 1-AMINO-3-[BUTYL(PHENYL)AMINO]PROPAN-2-OL
-
- Inchi： 1S/C13H22N2O/c1-2-3-9-15(11-13(16)10-14)12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11,14H2,1H3
- InChI Key： LQYQPOOVIWJZMD-UHFFFAOYSA-N
- SMILES： OC(CN)CN(C1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 222.17336
- Monoisotopic Mass: 222.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 169
- 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: 1.7
- Topological Polar Surface Area: 49.5?2
Experimental Properties
- PSA: 49.49
2-Propanol, 1-amino-3-(butylphenylamino)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
76450-93-6 (2-Propanol, 1-amino-3-(butylphenylamino)-) Related Products
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