UCSF

ZINC01038916

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 13 Yes

Popular Name: 1-(2-NAPHTHYL)ETHANOL 1-(2-NAPHTHYL)ETHANOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1485-07-0 , 27544-18-9 , 40295-80-5 , 52193-85-8 , 7228-47-9 , [7228-47-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.69 5.01 -4.89 1 1 0 20 172.227 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 140 - 142 (p=4 torr) Acros Organics
BP 170 / 13 TCI
Boiling_Point 170?/13mm Alfa-Aesar
Boiling_Point 170°/13mm Alfa-Aesar
MP 72 TCI
Melting_Point 72-75? Alfa-Aesar
Melting_Point 72-75° Alfa-Aesar
MP 73 - 78 Enamine Building Blocks
MP 74 - 76 Enamine Building Blocks
MP 74...76 Enamine Building Blocks
MP 76 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )