Cas no 83269-04-9 (Carbamic acid,[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]-, ethyl ester(9CI))
![Carbamic acid,[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]-, ethyl ester(9CI) structure](https://ossimg.kuujia.com/scimg/83500/83269-04-9x500.png)
83269-04-9 structure
Product Name:Carbamic acid,[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]-, ethyl ester(9CI)
CAS No:83269-04-9
MF:C18H21N5O5
MW:387.389843702316
CID:733874
PubChem ID:327348
Update Time:2025-04-19
Carbamic acid,[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]-, ethyl ester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]-, ethyl ester(9CI)
- NSC-302061
- 83269-04-9
- SCHEMBL13327634
- DTXSID70316322
- ethyl N-[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]pyridin-2-yl]carbamate
- NSC302061
-
- Inchi： 1S/C18H21N5O5/c1-2-28-18(25)22-15-10-14(16(23(26)27)17(19)21-15)20-11-13(24)9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H4,19,20,21,22,25)
- InChI Key： JDCMELLTUVTMCD-UHFFFAOYSA-N
- SMILES： O=C(CNC1=CC(NC(=O)OCC)=NC(=C1[N+](=O)[O-])N)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 387.15426879g/mol
- Monoisotopic Mass: 387.15426879g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 535
- 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: 3.3
- Topological Polar Surface Area: 152?2
Carbamic acid,[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]-, ethyl ester(9CI) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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