| CAS Number | 839705-03-2 |
| Catalog Number | AG00IDCB(AGN-PC-0UQ014) |
| Chemical Name | 1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hoac salt |
| EC Number | 445-750-3 |
| IUPAC Name | acetic acid;1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol |
| InChI | InChI=1S/C15H23NO2.C2H4O2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;1-2(3)4/h5-8,14,17H,2-4,9-11,16H2,1H3;1H3,(H,3,4) |
| InChI Key | PZZVOHPSNLLPGX-UHFFFAOYSA-N |
| MDL Number | MFCD22574092 |
| Molecular Formula | C17H27NO4 |
| Molecular Weight | 309.4006 |
| SMILES | CC(=O)O.NCC(C1(O)CCCCC1)c1ccc(cc1)OC |
| Synonyms | 839705-03-2,
1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol acetate,
1-(2-AMINO-1-(4-METHOXYPHENYL)ETHYL)CYCLOHEXANOL HOAC SALT,
SCHEMBL3036343,
MFCD22574092,
1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol acetic acid salt,
CID11688149,
EC 445-750-3,
(R,S)-1-(2-Amino-1(4-methoxyphenyl)ethyl)cyclohexanol acetate,
(R,S)-1-[2-Amino-1(4-methoxyphenyl)ethyl]cyclohexanol acetate,
IUPAC: Acetic Acid; 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.406g/mol |
| Monoisotopic Mass | 309.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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