Cas no 353247-80-0 (Benzaldehyde, 4-(1-aziridinyl)- (9CI))
353247-80-0 structure
Product Name:Benzaldehyde, 4-(1-aziridinyl)- (9CI)
CAS No:353247-80-0
MF:C9H9NO
MW:147.173862218857
CID:1022424
PubChem ID:45083593
Update Time:2025-04-20
Benzaldehyde, 4-(1-aziridinyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-(1-aziridinyl)- (9CI)
- 4-(aziridin-1-yl)benzaldehyde
- 4-(1-Aziridinyl)benzaldehyde
- 353247-80-0
- DTXSID80665454
- DB-273559
- SCHEMBL2561698
- BENZALDEHYDE, 4-(1-AZIRIDINYL)-
-
- Inchi: 1S/C9H9NO/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,7H,5-6H2
- InChI Key: BZFRYELICHIEIC-UHFFFAOYSA-N
- SMILES: O=CC1C=CC(=CC=1)N1CC1
Computed Properties
- Exact Mass: 147.06847
- Monoisotopic Mass: 147.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 146
- 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: 20.1A^2
- XLogP3: 1.3
Experimental Properties
- PSA: 20.08
Benzaldehyde, 4-(1-aziridinyl)- (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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