N-[(1S,2S)-2-aminocyclohexyl]-Carbamic Acid Phenylmethyl Ester - CAS 199336-05-5
Catalog: |
BB074934 |
Product Name: |
N-[(1S,2S)-2-aminocyclohexyl]-Carbamic Acid Phenylmethyl Ester |
CAS: |
199336-05-5 |
Synonyms: |
(1S-trans)-(2-Aminocyclohexyl)carbamic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl N-[(1S,2S)-2-aminocyclohexyl]carbamate |
Molecular Weight: | 248.32 |
Molecular Formula: | C14H20N2O2 |
Canonical SMILES: | C1CCC(C(C1)N)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,16,17)/t12-,13-/m0/s1 |
InChI Key: | FAIYTHASVJZIGQ-STQMWFEESA-N |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.152477885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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