Cas no 112757-49-0 (Benzamide,N-(6-aminohexyl)-4-nitro-, hydrochloride (1:1))
112757-49-0 structure
Product Name:Benzamide,N-(6-aminohexyl)-4-nitro-, hydrochloride (1:1)
CAS No:112757-49-0
MF:C13H20ClN3O3
MW:301.769202232361
CID:158066
PubChem ID:3025673
Update Time:2025-04-19
Benzamide,N-(6-aminohexyl)-4-nitro-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(6-aminohexyl)-4-nitro-, hydrochloride (1:1)
- N-(6-aminohexyl)-4-nitrobenzamide,hydrochloride
- DTXSID10150166
- 112757-49-0
- N-(6-Aminohexyl)-4-nitrobenzamide monohydrochloride
- Benzamide, N-(6-aminohexyl)-4-nitro-, monohydrochloride
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- Inchi： 1S/C13H19N3O3.ClH/c14-9-3-1-2-4-10-15-13(17)11-5-7-12(8-6-11)16(18)19;/h5-8H,1-4,9-10,14H2,(H,15,17);1H
- InChI Key： MMIYWTGREPAJTA-UHFFFAOYSA-N
- SMILES： Cl.O=C(C1C=CC(=CC=1)[N+](=O)[O-])NCCCCCCN
Computed Properties
- Exact Mass: 301.1195
- Monoisotopic Mass: 301.119
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 283
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 101?2
Experimental Properties
- Boiling Point: 477.5°Cat760mmHg
- Flash Point: 242.6°C
- PSA: 98.26
Benzamide,N-(6-aminohexyl)-4-nitro-, hydrochloride (1:1) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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