Cas no 1207175-51-6 (N-Propyloxetan-3-amine)
N-Propyloxetan-3-amine structure
Product Name:N-Propyloxetan-3-amine
CAS No:1207175-51-6
MF:C6H13NO
MW:115.173521757126
CID:1211378
PubChem ID:46856480
Update Time:2025-04-20
N-Propyloxetan-3-amine Chemical and Physical Properties
Names and Identifiers
-
- N-Propyloxetan-3-amine
- N-propyl-3-Oxetanamine
- DB-012505
- 1207175-51-6
- SCHEMBL18909344
- G82219
- AKOS012935026
-
- Inchi： 1S/C6H13NO/c1-2-3-7-6-4-8-5-6/h6-7H,2-5H2,1H3
- InChI Key： REKFYMHLHARZBH-UHFFFAOYSA-N
- SMILES： O1CC(C1)NCCC
Computed Properties
- Exact Mass: 115.09979
- Monoisotopic Mass: 115.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 61.5
- 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
- Topological Polar Surface Area: 21.3A^2
- XLogP3: 0.4
Experimental Properties
- PSA: 21.26
N-Propyloxetan-3-amine Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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