Cas no 16507-09-8 (Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester)
16507-09-8 structure
Product Name:Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester
CAS No:16507-09-8
MF:C8H15NO4
MW:189.209002733231
CID:210149
PubChem ID:312695
Update Time:2025-04-19
Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester
- AC1L7LV6
- AG-E-14717
- CTK4D1986
- METHYL 3,4-DIMETHYL-4-NITRO-PENTANOATE
- NSC223051
- Valericacid, 3,4-dimethyl-4-nitro-, methyl ester (8CI)
- methyl 3,4-dimethyl-4-nitropentanoate
- NSC-223051
- DTXSID20310239
- 16507-09-8
-
- Inchi： 1S/C8H15NO4/c1-6(5-7(10)13-4)8(2,3)9(11)12/h6H,5H2,1-4H3
- InChI Key： ZUONLRZJDRNUIX-UHFFFAOYSA-N
- SMILES： [O-][N+](C(C)(C)C(C)CC(=O)OC)=O
Computed Properties
- Exact Mass: 189.10015
- Monoisotopic Mass: 189.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.067
- Boiling Point: 256.1°Cat760mmHg
- Flash Point: 100.9°C
- Refractive Index: 1.441
- PSA: 69.44
Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
16507-09-8 (Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester) Related Products
- 16507-02-1(Methyl 4-methyl-4-nitropentanoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 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)
Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
