UCSF

ZINC00406903

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: Cyclohexane-1,3-diyldimethanamine Cyclohexane-1,3-diyldimethanamine

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CAS Numbers: 1477-55-0 , 2579-20-6 , [2579-20-6]

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) -0.16 0.87 -94.54 6 2 2 55 144.262 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 Acros Organics
BP [°C] 220 Acros Organics
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
S phrase S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
PUBCHEM_PATENT_ID US5821240 IBM Patent Data

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