| CAS Number | 1391731-16-0 |
| Catalog Number | AG003VGN(AGN-PC-0WAM0V) |
| Chemical Name | Tert-Butyl ((1S,2R)-2-aminocyclohexyl)carbamate (R)-2-hydroxy-2-phenylacetate |
| IUPAC Name | tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;(2R)-2-hydroxy-2-phenylacetic acid |
| InChI | InChI=1S/C11H22N2O2.C8H8O3/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7(8(10)11)6-4-2-1-3-5-6/h8-9H,4-7,12H2,1-3H3,(H,13,14);1-5,7,9H,(H,10,11)/t8-,9+;7-/m11/s1 |
| InChI Key | HAQTXHODPIHEOH-YOTSKVBOSA-N |
| MDL Number | MFCD30478698 |
| Molecular Formula | C19H30N2O5 |
| Molecular Weight | 366.4519 |
| SMILES | O=C(OC(C)(C)C)N[C@@H]1[C@H](N)CCCC1.O=C(O)[C@H](O)C2=CC=CC=C2 |
| Synonyms | 1391731-16-0,
tert-Butyl ((1S,2R)-2-aminocyclohexyl)carbamate (R)-2-hydroxy-2-phenylacetate,
MFCD30478698,
AKOS030228709,
N-Boc-(1S, 2R)-Diaminocyclohexane (R)-hydroxyphenylacetic acid salt,
N-Boc-(1S, 2R)-diaminocyclohexane (R)-Hydroxyphenylaceticacid salt,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.458g/mol |
| Monoisotopic Mass | 366.215g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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