Cas no 19986-23-3 (Propyl-1,1-t2 alcohol(8CI))
Propyl-1,1-t2 alcohol(8CI) structure
Product Name:Propyl-1,1-t2 alcohol(8CI)
CAS No:19986-23-3
MF:C3H8O
MW:64.1112399101257
CID:123875
PubChem ID:102602042
Update Time:2025-04-18
Propyl-1,1-t2 alcohol(8CI) Chemical and Physical Properties
Names and Identifiers
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- Propyl-1,1-t2 alcohol(8CI)
- PROPANOL-N, [1-3H]
- 19986-23-3
- Propanol-N,[1-3h]
- 1,1-Ditritiopropan-1-ol
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- Inchi： 1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i3T2
- InChI Key： BDERNNFJNOPAEC-WTJCDBBSSA-N
- SMILES： OC([3H])([3H])CC
Computed Properties
- Exact Mass: 64.074
- Monoisotopic Mass: 64.074
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 4
- Rotatable Bond Count: 1
- Complexity: 7.2
- 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: 0.3
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- PSA: 20.23000
- LogP: 0.38870
Propyl-1,1-t2 alcohol(8CI) Related Literature
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Inês C. M. Vaz,Arijit Bhattacharjee,Marisa A. A. Rocha,Jo?o A. P. Coutinho,Margarida Bastos,Luís M. N. B. F. Santos Phys. Chem. Chem. Phys. 2016 18 19267
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Inês C. M. Vaz,Margarida Bastos,Carlos E. S. Bernardes,José N. Canongia Lopes,Luís M. N. B. F. Santos Phys. Chem. Chem. Phys. 2018 20 2536
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Millena P. Ferreira,Caio B. Castro,Jo?o Honorato,Sheng He,Walber Gon?alves Guimar?es Júnior,Charlene Esmieu,Eduardo E. Castellano,André F. de Moura,Daniela R. Truzzi,Otaciro R. Nascimento,Antoine Simonneau,Caterina G. C. Marques Netto Dalton Trans. 2023 52 11254
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Varadhi Govinda,Pannuru Venkatesu,Indra Bahadur Phys. Chem. Chem. Phys. 2016 18 8278
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Christine Peters,Ludger Wolff,Sandra Haase,Julia Thien,Thorsten Brands,Hans-Jürgen Ko?,André Bardow Lab Chip 2017 17 2768
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