Cas no 89399-20-2 (4-nitro-N-pentylbenzamide)
4-nitro-N-pentylbenzamide structure
Product Name:4-nitro-N-pentylbenzamide
CAS No:89399-20-2
MF:C12H16N2O3
MW:236.267043113708
CID:993735
PubChem ID:347935
Update Time:2025-04-20
4-nitro-N-pentylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- 4-nitro-N-pentylbenzamide
- SCHEMBL5507892
- AKOS000922649
- NSC-406860
- NSC406860
- 89399-20-2
- DTXSID70324503
- STK078976
-
- Inchi： 1S/C12H16N2O3/c1-2-3-4-9-13-12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15)
- InChI Key： BEPRYLWKWWVVQA-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])NCCCCC
Computed Properties
- Exact Mass: 236.116
- Monoisotopic Mass: 236.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 255
- 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: 2.8
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- Density: 1.137
- Boiling Point: 414.7°C at 760 mmHg
- Flash Point: 204.6°C
- Refractive Index: 1.538
4-nitro-N-pentylbenzamide Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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