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Home Other Building Blocks N-Butyl nitrate

N-Butyl nitrate

CAS No.:
928-45-0
Catalog Number:
AG00GUTA
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$225
- +
100g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00GUTA
Chemical Name:
N-Butyl nitrate
CAS Number:
928-45-0
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
MDL Number:
MFCD00039736
IUPAC Name:
butyl nitrate
InChI:
InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChI Key:
QQHZPQUHCAKSOL-UHFFFAOYSA-N
SMILES:
CCCCON(=O)=O
EC Number:
213-172-9
UNII:
00YK6AM7PG
Properties
Complexity:
68.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.058g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.12g/mol
Monoisotopic Mass:
119.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
A dual acting compound releasing nitric oxide (NO) and ibuprofen, NCX 320, shows significant therapeutic effects in a mouse model of muscular dystrophy. Pharmacological research 20110901
NO donors. Part 16: investigations on structure-activity relationships of organic mononitrates reveal 2-nitrooxyethylammoniumnitrate as a high potent vasodilator. Bioorganic & medicinal chemistry letters 20071101
Chronic administration of R-flurbiprofen attenuates learning impairments in transgenic amyloid precursor protein mice. BMC neuroscience 20070101
Synthesis and calcium channel antagonist activities of 3-nitrooxyalkyl, 5-alkyl 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-3, 5-pyridinedicarboxylates. Farmaco (Societa chimica italiana : 1989) 20020201
Properties