Cas no 31247-33-3 (2-Azetidinemethanol,1-(1-methylethyl)-)
31247-33-3 structure
Product Name:2-Azetidinemethanol,1-(1-methylethyl)-
CAS No:31247-33-3
MF:C7H15NO
MW:129.200102090836
CID:312830
PubChem ID:282394
Update Time:2025-04-19
2-Azetidinemethanol,1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Azetidinemethanol,1-(1-methylethyl)-
- (1-ISOPROPYLAZETIDIN-2-YL)METHANOL
- DTXSID60300290
- IPBIHRCLFOORQI-UHFFFAOYSA-N
- NSC-135856
- [1-(propan-2-yl)azetidin-2-yl]methanol
- 31247-33-3
- SCHEMBL9683032
- 1-(1-methylethyl)-2-azetidinemethanol
- NSC135856
-
- Inchi： 1S/C7H15NO/c1-6(2)8-4-3-7(8)5-9/h6-7,9H,3-5H2,1-2H3
- InChI Key： IPBIHRCLFOORQI-UHFFFAOYSA-N
- SMILES： OCC1CCN1C(C)C
Computed Properties
- Exact Mass: 129.11545
- Monoisotopic Mass: 129.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 92.9
- 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: 0.6
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- Density: 0.973
- Boiling Point: 176.9°C at 760 mmHg
- Flash Point: 61.4°C
- Refractive Index: 1.476
- PSA: 23.47
- LogP: 0.39930
2-Azetidinemethanol,1-(1-methylethyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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