Cas no 224297-26-1 (1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)-)
![1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)- structure](https://ossimg.kuujia.com/scimg/224500/224297-26-1x500.png)
224297-26-1 structure
Product Name:1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)-
CAS No:224297-26-1
MF:C7H13NO
MW:127.184221982956
CID:244676
Update Time:2024-01-26
1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)- Chemical and Physical Properties
Names and Identifiers
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- 1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)-
- 1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)-(9CI)
- 1-Azabicyclo[2.2.1]heptane-3-methanol, (1S,3R,4S)-
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- Inchi： 1S/C7H13NO/c9-5-7-4-8-2-1-6(7)3-8/h6-7,9H,1-5H2/t6-,7-/m1/s1
- InChI Key： RMOFKDQUIWGFSX-RNFRBKRXSA-N
- SMILES： [N@@]12C[C@@]([H])(CC1)[C@@H](CO)C2
Computed Properties
- Exact Mass: 127.09979
- Monoisotopic Mass: 127.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.5A^2
Experimental Properties
- Density: 1.13±0.1 g/cm3(Predicted)
- Boiling Point: 178.2±13.0 °C(Predicted)
- PSA: 23.47
- pka: 14.94±0.10(Predicted)
1-Azabicyclo[2.2.1]heptane-3-methanol,(1S,3R,4S)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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