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TETRADECYL ISOCYANATE

CAS No.:
4877-14-9
Catalog Number:
AG00DE6Y
Molecular Formula:
C15H29NO
Molecular Weight:
239.3969
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Product Description
Catalog Number:
AG00DE6Y
Chemical Name:
TETRADECYL ISOCYANATE
CAS Number:
4877-14-9
Molecular Formula:
C15H29NO
Molecular Weight:
239.3969
MDL Number:
MFCD00274352
IUPAC Name:
1-isocyanatotetradecane
InChI:
InChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17/h2-14H2,1H3
InChI Key:
CSMJMAQKBKGDQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCN=C=O
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.225g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.403g/mol
Monoisotopic Mass:
239.225g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  
Literature
Title Journal
Potent inhibition of Acid ceramidase by novel B-13 analogues. Journal of lipids 20110101
Theory analysis of mass spectra of long-chain isocyanates. Rapid communications in mass spectrometry : RCM 20080701
Properties