UCSF

ZINC02557121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: [(3,5-dichlorophenyl)methyl](methyl)amine [(3,5-dichlorophenyl)methyl](met…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 90389-22-3 , 90390-21-9

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) 2.78 -0.38 -42.88 2 1 1 16 191.081 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Hazard C: Corrosive Acros Organics
Hazard C: Corrosive; XN: Harmful Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled; H312: Harmful in contact with skin; H302: Harmful if swallowed Acros Organics
P phrase P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R34: Causes burns.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; 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.; S45: In case of accident or if Acros Organics

Activity (Go SEA)

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