Methyl cis-4-aminocyclohexanecarboxylate - CAS 62456-15-9
Catalog: |
BB059439 |
Product Name: |
Methyl cis-4-aminocyclohexanecarboxylate |
CAS: |
62456-15-9 |
Synonyms: |
methyl 4-aminocyclohexane-1-carboxylate; Methyl 4-aminocyclohexanecarboxylate; trans-Methyl-4-aMinocyclohexanecarboxylate; trans-methyl 4-aminocyclohexanecarboxylate; methyl cis-4-aminocyclohexanecarboxylate; 4-Amino-cyclohexanecarboxylic acid methyl ester |
IUPAC Name: | methyl 4-aminocyclohexane-1-carboxylate |
Description: | Methyl cis-4-aminocyclohexanecarboxylate |
Molecular Weight: | 157.21 |
Molecular Formula: | C8H15NO2 |
Canonical SMILES: | COC(=O)C1CCC(CC1)N |
InChI: | InChI=1S/C8H15NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7H,2-5,9H2,1H3 |
InChI Key: | FFKGMXGWLOPOAO-UHFFFAOYSA-N |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.110278721 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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