| CAS Number | 725255-41-4 |
| Catalog Number | AG00ICA0(AGN-PC-0WG46Y) |
| Chemical Name | Imidodicarbonic acid, 2-(4-methylenecyclohexyl)-, 1,3-bis(1,1-dimethylethyl) ester |
| IUPAC Name | tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C17H29NO4/c1-12-8-10-13(11-9-12)18(14(19)21-16(2,3)4)15(20)22-17(5,6)7/h13H,1,8-11H2,2-7H3 |
| InChI Key | QQNVPWZWINGZHR-UHFFFAOYSA-N |
| MDL Number | MFCD24476215 |
| Molecular Formula | C17H29NO4 |
| Molecular Weight | 311.4165 |
| SMILES | CC(C)(C)OC(=O)N(C1CCC(=C)CC1)C(=O)OC(C)(C)C |
| Synonyms | 725255-41-4,
Imidodicarbonic acid, 2-(4-methylenecyclohexyl)-, 1,3-bis(1,1-dimethylethyl) ester,
MFCD24476215,
ZINC238123380,
CS-0038471,
2-(4-Methylenecyclohexyl)-imidodicarbonic acid 1,3-bis(1,1-dimethylethyl) ester,
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate,
Unable to generate value,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.422g/mol |
| Monoisotopic Mass | 311.21g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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