UCSF

ZINC18200963

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 8 No

Popular Name: 3-AMINO-2-CYCLOHEXEN-1-ONE 3-AMINO-2-CYCLOHEXEN-1-ONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5220-49-5 , [5220-49-5]

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) 0.43 1.69 -14.57 2 2 0 43 111.144 0 ↓
Hi High (pH 8-9.5) 1.10 1.79 -37.85 1 2 -1 47 110.136 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 121 - 126 KeyOrganics
MP 123 - 125 Enamine Building Blocks
MP 123...125 Enamine Building Blocks
Melting_Point 128-133?(dried) Alfa-Aesar
Melting_Point 128-133°(dried) Alfa-Aesar
MP 129 - 133 Enamine Building Blocks
MP 130-132° Oakwood Chemical
MP 132 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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 R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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