(1S,2S)-2-(Benzylamino)cyclohexanol - CAS 322407-34-1
Catalog: |
BB021236 |
Product Name: |
(1S,2S)-2-(Benzylamino)cyclohexanol |
CAS: |
322407-34-1 |
Synonyms: |
(1S,2S)-2-[(phenylmethyl)amino]-1-cyclohexanol; (1S,2S)-2-(benzylamino)cyclohexan-1-ol |
IUPAC Name: | (1S,2S)-2-(benzylamino)cyclohexan-1-ol |
Description: | (1S,2S)-2-(Benzylamino)cyclohexanol (CAS# 322407-34-1) is a useful research chemical. |
Molecular Weight: | 205.30 |
Molecular Formula: | C13H19NO |
Canonical SMILES: | C1CCC(C(C1)NCC2=CC=CC=C2)O |
InChI: | InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m0/s1 |
InChI Key: | NJNCYFUGUYIMEQ-STQMWFEESA-N |
LogP: | 2.47060 |
Publication Number | Title | Priority Date |
CA-3039853-A1 | Therapeutic compounds and methods of use thereof | 20161017 |
CN-110072855-A | Therapeutic compound and its application method | 20161017 |
EP-3526205-A1 | Therapeutic compounds and methods of use thereof | 20161017 |
JP-2019532077-A | Therapeutic compounds and methods of use thereof | 20161017 |
US-10457654-B2 | Therapeutic compounds and methods of use thereof | 20161017 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.14666423 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.14666423 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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