UCSF

ZINC00388164

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

CAS Number: 3638-73-1

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) 2.97 -2.18 -1.94 2 1 0 26 250.921 0

Vendor Notes

Note Type Comments Provided By
MP 51 - 53 Enamine Building Blocks
Mp [°C] 51 - 56 Acros Organics
MP 51-53° Oakwood Chemical
MP 51...53 Enamine Building Blocks
MP 52 - 53 Enamine Building Blocks
Melting_Point 52-56? Alfa-Aesar
Melting_Point 52-56° Alfa-Aesar
MP 53 - 53 Enamine Building Blocks
MP 53 - 55 Enamine Building Blocks
MP 56 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98 APIChem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H335: May cause respiratory irritation; H373: May cause damage to organs through prolonged or repe Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P301 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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