Home Other Building Blocks Propane, 2-isocyanato-2-methyl-

Propane, 2-isocyanato-2-methyl-

CAS No.:
1609-86-5
Catalog Number:
AG001VH5
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
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Product Description
Catalog Number:
AG001VH5
Chemical Name:
Propane, 2-isocyanato-2-methyl-
CAS Number:
1609-86-5
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD00002035
IUPAC Name:
2-isocyanato-2-methylpropane
InChI:
InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3
InChI Key:
MGOLNIXAPIAKFM-UHFFFAOYSA-N
SMILES:
O=C=NC(C)(C)C
EC Number:
216-544-9
UNII:
2RHQ1BS36D
UN Number:
2484
Properties
Complexity:
95.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair. Dalton transactions (Cambridge, England : 2003) 20120814
Versatile stereoselective cycloadditions between heterocumulenes and phosphagermaallene Tip(tBu)Ge=C=PMes*: experimental and theoretical investigations. Chemistry (Weinheim an der Bergstrasse, Germany) 20111104
Synthesis of stable silicon heterocycles by reaction of organic substrates with a chlorosilylene [PhC(NtBu)2SiCl]. Chemistry (Weinheim an der Bergstrasse, Germany) 20110404
Dietary phenethyl isothiocyanate alters gene expression in human breast cancer cells. Evidence-based complementary and alternative medicine : eCAM 20110101
Lipid peroxidation, oxidative stress genes and dietary factors in breast cancer protection: a hypothesis. Breast cancer research : BCR 20070101
Molybdenum oxo-imido aryloxide complexes: oxo analogues of olefin metathesis catalysts. Inorganic chemistry 20060529
Synthesis and structural characterization of a terminal hydroxide containing alumoxane via hydrolysis of aluminum hydrides. Inorganic chemistry 20040223
Synthesis and antibacterial activity of fused 1, 2, 4-triazolo[4, 3-a]quinoxaline and oxopyrimido[2', 1':5, 1]-1, 2, 4-triazolo[4, 3-a]quinoxaline derivatives. Archiv der Pharmazie 20020801
Properties