CAS
912770-90-2 Purity
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912770-90-2 Purity
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Specification
The molecular formula is C11H18N2O2.
The molecular weight is 210.27 g/mol.
The IUPAC name is tert-butyl N-(1-cyanocyclopentyl)carbamate.
The InChI is InChI=1S/C11H18N2O2/c1-10(2,3)15-9(14)13-11(8-12)6-4-5-7-11/h4-7H2,1-3H3,(H,13,14).
The InChIKey is LRMWZGZPJOFYIM-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)OC(=O)NC1(CCCC1)C#N.
The CAS number is 912770-99-1.
The XLogP3-AA value is 1.8.
There is 1 hydrogen bond donor.
Yes, the compound is canonicalized.