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N-Nitrosodibutylamine - analytical standard, high purity , CAS No.924-16-3
Basic Description
Synonyms
InChI=1/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H | NCGC00259883-01 | Nitrosodibutylamine | CAS-924-16-3 | NDBA | Di-N-butylnitrosoamine | N-Nitroso-di-n-butylamine | N-NITROSODI-N-BUTYLAMINE | N-NITROSO-DI-N-BUTYLAMINE-D18 | CCRIS 217 | NCGC00254330-
Specifications & Purity
analytical standard
Storage Temp
Argon charged
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Organic nitroso compounds
Intermediate Tree Nodes
Not available
Direct Parent
Organic N-nitroso compounds
Alternative Parents
Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic n-nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organic n-nitroso compounds. These are organic compounds containing a n-nitroso group -NN=O.
External Descriptors
nitroso compound
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N,N-dibutylnitrous amide
INCHI
InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3
InChIKey
YGJHZCLPZAZIHH-UHFFFAOYSA-N
Smiles
CCCCN(CCCC)N=O
Isomeric SMILES
CCCCN(CCCC)N=O
RTECS
EJ4025000
UN Number
3082
Packing Group
III
Molecular Weight
158.24
Beilstein
4(3)305
Reaxy-Rn
1760378
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760378&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light & air sensitive
Refractive Index
1.45
Boil Point(°C)
237°C
Molecular Weight
158.240 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
158.142 Da
Monoisotopic Mass
158.142 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
88.100
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Guohong Yao, Fenfang Li, Shengyi Dong.
(2023)
Solvent-free bulk soft material with low-temperature tolerance: Transparency, flexibility, stretchability, and adhesion. CHEMICAL ENGINEERING SCIENCE,
281
(119164).
2.
Li Gao, Huiying Zuo, Aikun Han, Yaming Sun, Xue Ma, Lijun He, Wenjie Zhao.
(2022)
Chromatographic Regulation by the Building Blocks for Triazine Polymer-Based Core–Shell Stationary Phases. ACS Applied Polymer Materials,
4
(11):
(8057–8064).
3.
Sisi Liu, Shibao Chen, Xiaohao Li, Yubo Yue, Jinling Li, Paul N. Williams, Zhanyun Wang, Cailin Li, Yuanyuan Yang, Guang-Guo Ying, Chang-Er Chen.
(2021)
Development and application of diffusive gradients in thin-films for in situ sampling of the bitterest chemical – denatonium benzoate in waters. JOURNAL OF HAZARDOUS MATERIALS,
418
(126393).
4.
Yongjin Ma, Xi Chen, Hanshuo Wu, Yanyang Shang, Pengfei Tan, Laidi Wu, Hong Wu, Jun Pan, Xiang Xiong.
(2017)
Highly efficient adsorption/photodegradation of organic pollutants using Sn1−0.25xCuxS2 flower-like as a novel photocatalyst. JOURNAL OF ALLOYS AND COMPOUNDS,
702
(489).
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4 Citations
C2325686