Cas no 13456-39-8 (Benzoic acid, 4-nitro-,2-(diethylamino)ethyl ester)
13456-39-8 structure
Product Name:Benzoic acid, 4-nitro-,2-(diethylamino)ethyl ester
CAS No:13456-39-8
MF:C13H18N2O4
MW:266.293023586273
CID:222865
PubChem ID:189018
Update Time:2025-04-19
Benzoic acid, 4-nitro-,2-(diethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-nitro-,2-(diethylamino)ethyl ester
- 2-(diethylamino)ethyl 4-nitrobenzoate
- 2-Diethylaminoethyl 4-nitrobenzoate
- 2-Diethylaminoethyl p-nitrobenzoate
- 4-Nitrobenzoic acid 2-(diethylamino)ethyl ester
- Pocaine Impurity 1
- Pocaine Intermediate
- Diethylaminoethyl 4-Nitrobenzoate
- (1s,4s)-4-(2-methoxy-2-oxoethyl)cyclohexyl 4-nitrobenzoate
- 13456-39-8
- POCAINEIMPURITY1
- Benzoic acid,4-nitro-,2-(diethylamino)ethyl ester
- 2-(Diethylamino)ethyl 4-nitrobenzoate #
- POCAINE IMPURITY 1
- NCGC00246465-01
- EU-0000156
- p-Nitrobenzoesaure-beta-diathylaminoathylester
- FRESWUPYXIRXMN-UHFFFAOYSA-N
- DTXSID00158792
- AKOS001584972
- CHEMBL1620927
- SCHEMBL9863224
- 4-Nitro-benzoic acid, 2-diethylamino-ethyl ester
-
- Inchi： 1S/C13H18N2O4/c1-3-14(4-2)9-10-19-13(16)11-5-7-12(8-6-11)15(17)18/h5-8H,3-4,9-10H2,1-2H3
- InChI Key： FRESWUPYXIRXMN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)CCN(CC)CC
Computed Properties
- Exact Mass: 266.12674
- Monoisotopic Mass: 266.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 292
- 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: 2.4
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- PSA: 72.68
Benzoic acid, 4-nitro-,2-(diethylamino)ethyl ester Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at recommended temperature
Benzoic acid, 4-nitro-,2-(diethylamino)ethyl ester Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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