Cas no 629648-19-7 (Carbamic acid, (4-methyl-2-nitrophenyl)-, 1-methylethyl ester)
629648-19-7 structure
Product Name:Carbamic acid, (4-methyl-2-nitrophenyl)-, 1-methylethyl ester
CAS No:629648-19-7
MF:C11H14N2O4
MW:238.239862918854
CID:428043
PubChem ID:71381643
Update Time:2025-04-19
Carbamic acid, (4-methyl-2-nitrophenyl)-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, (4-methyl-2-nitrophenyl)-, 1-methylethyl ester
- propan-2-yl N-(4-methyl-2-nitrophenyl)carbamate
- 629648-19-7
- Propan-2-yl (4-methyl-2-nitrophenyl)carbamate
- DTXSID60804081
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- Inchi： 1S/C11H14N2O4/c1-7(2)17-11(14)12-9-5-4-8(3)6-10(9)13(15)16/h4-7H,1-3H3,(H,12,14)
- InChI Key： AGRXVUZVTQMMFQ-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC(C)=CC=1[N+](=O)[O-])=O)C(C)C
Computed Properties
- Exact Mass: 238.09542
- Monoisotopic Mass: 238.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 288
- 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: 2.7
- Topological Polar Surface Area: 84.2?2
Experimental Properties
- PSA: 81.47
Carbamic acid, (4-methyl-2-nitrophenyl)-, 1-methylethyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
629648-19-7 (Carbamic acid, (4-methyl-2-nitrophenyl)-, 1-methylethyl ester) Related Products
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