UCSF

ZINC01532194

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 Yes

Popular Name: N,N,N',N'-Tetramethyl-1,6-hexanediamine N,N,N',N'-Tetramethyl-1,6-hexane…

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CAS Numbers: 111-18-2 , 1938-71-2 , 5171-84-6 , 9011-04-5 , [111-18-2] , [1938-71-2]

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) 1.92 7.88 -76.79 2 2 2 9 174.332 7 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 46 Acros Organics
BP [°C] 209 - 210 Acros Organics
BP 210 TCI
Purity 95% Fluorochem
H phrase H301: Toxic if swallowed; H331: Toxic if inhaled; H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage; H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H318: Causes serious eye damage 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove to fresh ai Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R23/24: Toxic by inhalation and in contact with skin.; R35: Causes severe burns.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

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