dihydroxy-oxo-ammonium; 4-dimethylamino-2-methyl-2-phenyl-butanenitrile(CAS No. 5456-40-6) CAS NO.5456-40-6

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Product Details

Keywords

dihydroxy-oxo-azanium; 4-dimethylamino-2-methyl-2-phenyl-butanenitrile
5456-40-6
98%

Quick Details

ProName: dihydroxy-oxo-ammonium; 4-dimethylamin...
CasNo: 5456-40-6
Molecular Formula: C13H20N3O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【Name】
dihydroxy-oxo-ammonium; 4-dimethylamino-2-methyl-2-phenyl-butanenitrile
【Iupac name】
4-(dimethylamino)-2-methyl-2-phenylbutanenitrile; nitric acid
【CAS Registry number】
5456-40-6
【Synonyms】
NSC5752
NSC-5752
5456-40-6
【Molecular Formula】
C13H20N3O3 (Products with the same molecular formula)
【Molecular Weight】
266.3157
【Inchi】
InChI=1/C13H18N2.H2NO3/c1-13(11-14,9-10-15(2)3)12-7-5-4-6-8-12;2-1(3)4/h4-8H,9-10H2,1-3H3;(H2,2,3,4)/q;+1
【Canonical SMILES】
CC(CCN(C)C)(C#N)C1=CC=CC=C1.[N+](=O)(O)[O-]
【MOL File】
5456-40-6.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
308.9°C at 760 mmHg
【Flash Point】
123.4°C
【Computed Properties】
Molecular Weight:265.30826 [g/mol]
Molecular Formula:C13H19N3O3
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:265.142641
MonoIsotopic Mass:265.142641
Topological Polar Surface Area:93.1
Heavy Atom Count:19
Formal Charge:0
Complexity:257
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:

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