Cas no 89074-18-0 (Benzaldehyde, 4-(butylamino)-)
Benzaldehyde, 4-(butylamino)- structure
Product Name:Benzaldehyde, 4-(butylamino)-
CAS No:89074-18-0
MF:C11H15NO
MW:177.242902994156
CID:613527
PubChem ID:13184834
Update Time:2025-04-19
Benzaldehyde, 4-(butylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-(butylamino)-
- 4-(butylamino)benzaldehyde
- 89074-18-0
- SCHEMBL5493605
- DTXSID70525654
-
- Inchi: 1S/C11H15NO/c1-2-3-8-12-11-6-4-10(9-13)5-7-11/h4-7,9,12H,2-3,8H2,1H3
- InChI Key: ZNZMSBIJDNXMOP-UHFFFAOYSA-N
- SMILES: O=CC1C=CC(=CC=1)NCCCC
Computed Properties
- Exact Mass: 177.115364102g/mol
- Monoisotopic Mass: 177.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 139
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 29.1?2
Benzaldehyde, 4-(butylamino)- Related Literature
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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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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
89074-18-0 (Benzaldehyde, 4-(butylamino)-) Related Products
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