Cas no 87458-01-3 (Carbamic acid, (4-nitrophenyl)-, hexyl ester)
87458-01-3 structure
Product Name:Carbamic acid, (4-nitrophenyl)-, hexyl ester
CAS No:87458-01-3
MF:C13H18N2O4
MW:266.293023586273
CID:656159
PubChem ID:522879
Update Time:2025-04-19
Carbamic acid, (4-nitrophenyl)-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (4-nitrophenyl)-, hexyl ester
- hexyl N-(4-nitrophenyl)carbamate
- 87458-01-3
- DTXSID10335097
- p-Nitro carbanilic acid, n-hexyl ester
- SCHEMBL21059228
-
- Inchi： 1S/C13H18N2O4/c1-2-3-4-5-10-19-13(16)14-11-6-8-12(9-7-11)15(17)18/h6-9H,2-5,10H2,1H3,(H,14,16)
- InChI Key： OFSOQJSHCDPUIU-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC(=CC=1)[N+](=O)[O-])=O)CCCCCC
Computed Properties
- Exact Mass: 266.12665706g/mol
- Monoisotopic Mass: 266.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 283
- 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: 4.2
- Topological Polar Surface Area: 84.2?2
Carbamic acid, (4-nitrophenyl)-, hexyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
87458-01-3 (Carbamic acid, (4-nitrophenyl)-, hexyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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