UCSF

ZINC02031610

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 No

Popular Name: 2-Nonanol 2-Nonanol

Find On: PubMed — Wikipedia — Google

CAS Number: 628-99-9

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) 3.50 4.3 -2.1 1 1 0 20 144.258 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 35? Alfa-Aesar
Melting_Point 35° Alfa-Aesar
Mp [°C] 36 Acros Organics
BP [°C] 193 - 194 Acros Organics
Boiling_Point 195-197? Alfa-Aesar
Boiling_Point 195-197° Alfa-Aesar
PUBCHEM_PATENT_ID EP0413528A1; EP0413528B1; EP0508324B1; EP0642781A1; EP0642781B1; EP0679388A1; EP0679388B1; EP0680748A1; EP0680748B1; EP0815845A1; EP0815845B1; EP0831767A1; EP0839520A1; EP0839520B1; EP0879593A2; EP0919217A1 IBM Patent Data
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.