UCSF

ZINC02539667

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: N-Methyl-1-phenylethanamine N-Methyl-1-phenylethanamine

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CAS Numbers: 10408-89-6 , 19131-99-8 , 32512-24-6 , 5933-40-4 , [10408-89-6] , [19131-99-8] , [32512-24-6]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.06 0.59 -36.47 2 1 1 16 136.218 2 ↓
Hi High (pH 8-9.5) 0.77 4.37 -104.36 8 10 2 155 480.548 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P330 + P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics

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

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