| CAS Number | 51163-24-7 |
| Catalog Number | AG003P4P(AGN-PC-0KTZYB) |
| Chemical Name | CYCLOHEXANEMETHYL ISOCYANATE |
| IUPAC Name | isocyanatomethylcyclohexane |
| InChI | InChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2 |
| InChI Key | DUDXQIXWPJMPRQ-UHFFFAOYSA-N |
| MDL Number | MFCD03701631 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | C1CCC(CC1)CN=C=O |
| Synonyms | Cyclohexanemethyl isocyanate,
51163-24-7,
Isocyanatomethylcyclohexane,
Cyclohexane, (isocyanatomethyl)-,
AC1MPPGT,
cyclohexylmethylisocyanate,
cyclohexylmethyl isocyanate,
isocyanatomethyl-cyclohexane,
(isocyanatomethyl)cyclohexane,
(Cyclohexylmethyl) isocyanate,
SCHEMBL268784,
CTK1G5326,
DTXSID70392262,
DUDXQIXWPJMPRQ-UHFFFAOYSA-N,
Cyclohexanemethyl isocyanate, 97%,
ZINC2509928,
AKOS010078731,
CID3414518,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number