Tetradecyl isocyanate - CAS 4877-14-9
Catalog: |
BB026593 |
Product Name: |
Tetradecyl isocyanate |
CAS: |
4877-14-9 |
Synonyms: |
1-isocyanatotetradecane |
IUPAC Name: | 1-isocyanatotetradecane |
Description: | Tetradecyl isocyanate (CAS# 4877-14-9) is a useful research chemical compound. |
Molecular Weight: | 239.40 |
Molecular Formula: | C15H29NO |
Canonical SMILES: | CCCCCCCCCCCCCCN=C=O |
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 |
Boiling Point: | 165 ℃ (1.4 torr) |
Purity: | 95 % |
Density: | 0.869 g/cm3 |
MDL: | MFCD00274352 |
LogP: | 5.02330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113332305-A | Lipid composition of cytidine compound | 20210603 |
CN-113336816-A | Cytidine compounds and antitumor application thereof | 20210603 |
CN-112618550-A | Antineoplastic uracil compound and lipid composition thereof | 20210115 |
WO-2021209278-A1 | Method of imparting chlorine resistance effect to colored fabric | 20200414 |
EP-3885384-A1 | Method for the production of thermoplastic polyoxazolidinones | 20200324 |
PMID | Publication Date | Title | Journal |
21490813 | 20110101 | Potent inhibition of Acid ceramidase by novel B-13 analogues | Journal of lipids |
18523980 | 20080701 | Theory analysis of mass spectra of long-chain isocyanates | Rapid communications in mass spectrometry : RCM |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.224914549 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.224914549 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.7 |
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