Cas no 534616-88-1 (2-Azetidinecarboxaldehyde, 1-(phenylmethyl)-)
534616-88-1 structure
Product Name:2-Azetidinecarboxaldehyde, 1-(phenylmethyl)-
CAS No:534616-88-1
MF:C11H13NO
MW:175.227022886276
CID:1583710
Update Time:2024-09-11
2-Azetidinecarboxaldehyde, 1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Azetidinecarboxaldehyde, 1-(phenylmethyl)-
- 1-benzylazetidine-2-carbaldehyde
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- Inchi： 1S/C11H13NO/c13-9-11-6-7-12(11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
- InChI Key： MVPBOUZUYOUOQY-UHFFFAOYSA-N
- SMILES： N1(CC2=CC=CC=C2)CCC1C=O
Computed Properties
- Exact Mass: 175.09979
- Monoisotopic Mass: 175.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 175
- 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
Experimental Properties
- Density: 1.192±0.06 g/cm3(Predicted)
- Boiling Point: 261.3±33.0 °C(Predicted)
- PSA: 20.31
- pka: 6.76±0.40(Predicted)
2-Azetidinecarboxaldehyde, 1-(phenylmethyl)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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