2-Aminocyclohexanecarboxylic Acid Methyl Ester - CAS 40015-88-1
Catalog: |
BB075656 |
Product Name: |
2-Aminocyclohexanecarboxylic Acid Methyl Ester |
CAS: |
40015-88-1 |
Synonyms: |
methyl 2-aminocyclohexane-1-carboxylate; methyl 2-aminocyclohexanecarboxylate; methyl cis-2-aminocyclohexanecarboxylate; methyl (1S,2R)-2-aminocyclohexanecarboxylate; methyl trans-2-aminocyclohexanecarboxylate; (1S,2S)-Methyl 2-aminocyclohexanecarboxylate |
IUPAC Name: | methyl 2-aminocyclohexane-1-carboxylate |
Molecular Weight: | 157.21 |
Molecular Formula: | C8H15NO2 |
Canonical SMILES: | COC(=O)C1CCCCC1N |
InChI: | InChI=1S/C8H15NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7H,2-5,9H2,1H3 |
InChI Key: | SUYHWZRODJBJER-UHFFFAOYSA-N |
Complexity: | 147 |
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: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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