Cas no 629648-22-2 (Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester)
![Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester structure](https://ossimg.kuujia.com/scimg/630000/629648-22-2x500.png)
629648-22-2 structure
Product Name:Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester
CAS No:629648-22-2
MF:C12H17N3O4
MW:267.281082868576
CID:428040
PubChem ID:71381640
Update Time:2025-04-19
Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester
- propan-2-yl N-[4-(dimethylamino)-3-nitrophenyl]carbamate
- DTXSID30804078
- Propan-2-yl [4-(dimethylamino)-3-nitrophenyl]carbamate
- 629648-22-2
-
- Inchi： 1S/C12H17N3O4/c1-8(2)19-12(16)13-9-5-6-10(14(3)4)11(7-9)15(17)18/h5-8H,1-4H3,(H,13,16)
- InChI Key： WDZJUXZGEPUFBC-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC(=C(C=1)[N+](=O)[O-])N(C)C)=O)C(C)C
Computed Properties
- Exact Mass: 267.12201
- Monoisotopic Mass: 267.12190603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 327
- 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: 2.3
- Topological Polar Surface Area: 87.4?2
Experimental Properties
- PSA: 84.71
Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
629648-22-2 (Carbamic acid, [4-(dimethylamino)-3-nitrophenyl]-, 1-methylethyl ester) Related Products
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