Cas no 74816-30-1 (N,N-diethyl-2-[(4-nitrophenyl)amino]-2-oxoethanaminium chloride)
![N,N-diethyl-2-[(4-nitrophenyl)amino]-2-oxoethanaminium chloride structure](https://ossimg.kuujia.com/scimg/75000/74816-30-1x500.png)
74816-30-1 structure
Product Name:N,N-diethyl-2-[(4-nitrophenyl)amino]-2-oxoethanaminium chloride
CAS No:74816-30-1
MF:C12H18ClN3O3
MW:287.742621898651
CID:1770164
PubChem ID:53125
Update Time:2025-04-21
N,N-diethyl-2-[(4-nitrophenyl)amino]-2-oxoethanaminium chloride Chemical and Physical Properties
Names and Identifiers
-
- N,N-diethyl-2-[(4-nitrophenyl)amino]-2-oxoethanaminium chloride
- 74816-30-1
- ACETANILIDE, 2-(DIETHYLAMINO)-4'-NITRO-, HYDROCHLORIDE
- Acetamide, 2-(diethylamino)-N-(4-nitrophenyl)-, monohydrochloride
- 2-(Diethylamino)-4'-nitroacetanilide hydrochloride
-
- Inchi： 1S/C12H17N3O3.ClH/c1-3-14(4-2)9-12(16)13-10-5-7-11(8-6-10)15(17)18;/h5-8H,3-4,9H2,1-2H3,(H,13,16);1H
- InChI Key： OREJJSIORAAHPT-UHFFFAOYSA-N
- SMILES： [Cl-].O=C(C[NH+](CC)CC)NC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 287.103669
- Monoisotopic Mass: 287.103669
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 279
- 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: 79.4
Experimental Properties
- Boiling Point: 434.8°C at 760 mmHg
- Flash Point: 216.7°C
N,N-diethyl-2-[(4-nitrophenyl)amino]-2-oxoethanaminium chloride Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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