In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2004 | 11 | Yes |
Popular Name: (+)-BORNEOL (+)-BORNEOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 405197-74-2 , 464-43-7 , 464-45-9 , 507-70-0 , [464-43-7] , [507-70-0]
(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
(1R,2S,4R)-rel-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,4R)- (9CI)
Borneol (contains ca 20% iso-Borneol)
Borneol (contains ca. 20% Isoborneol)
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.35 | 3.28 | -1.98 | 1 | 1 | 0 | 20 | 154.253 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 201 | TCI |
MP | 207 | TCI |
Purity | 70% | Fluorochem |
Purity | 95% | Fluorochem |
PUBCHEM_PATENT_ID | EP0027344A1; EP0054431A1; EP0061181A1; EP0068427A1; EP0076633A1; EP0080153A1; EP0087248A1; EP0098522A2; EP0098736A2; EP0120463A2; EP0120463B1; EP0120717A2; EP0173142A2; EP0187015A2; EP0187015B1; EP0244488A1; EP0244488B1; EP0293942A2; EP0293942B1; EP034174 | IBM Patent Data |