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Home> Encyclopedia > Hot Product Listed 2   > 2-Butanol, 2-methyl-,2-acetate
5423-29-0 structure

2-Butanol, 2-methyl-,2-acetate

Iupac Name:1-(2-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methylideneamino]urea
CAS No.:5423-29-0
Molecular Weight:256.218
Molecular Formula:C12H13CLN2O2 (isomer)
Names and Identifiers
Synonyms

1,1-Dimethylpropyl acetate 2-Butanol, 2-methyl-, acetate 2-Butanol,2-methyl-, acetate (9CI) 2-Methyl-2-butyl acetate 2-methylbutan-2-yl acetate 2-methylbutan-2-yl ethanoate Acetic acid, 1,1-dimethylpropyl ester CH3C(O)OC(CH3)2CH2CH3 tert-Amyl acetate tert-Amyl ethanoate tert-Pentyl acetate tert-Pentyl Alcohol, acetate tert-Pentyl alcohol, acetate (6CI,7CI,8CI) T-PENTYL ACETATE

Inchi
InChI=1S/C9H12N4O5/c1-6(14)5-12(9(10)15)11-4-7-2-3-8(18-7)13(16)17/h2-4,6,14H,5H2,1H3,(H2,10,15)
InChkey
GBNRGPOXYKKLGO-UHFFFAOYSA-N
Canonical Smiles
CC(CN(C(=O)N)N=CC1=CC=C(O1)[N+](=O)[O-])O
Isomers Smiles
CC(CN(C(=O)N)/N=C\C1=CC=C(O1)[N+](=O)[O-])O
Properties
Density
1.195
Refractive Index
1.624
Flash Point
°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:256.218g/mol
  • Molecular Formula:C12H13CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:256.081
  • Monoisotopic Mass:256.081
  • Complexity:342
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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