UCSF

ZINC19365718

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 9 Yes

Popular Name: 1,4-Diazabicyclo[3.2.2]nonane dihydrochloride 1,4-Diazabicyclo[3.2.2]nonane di…

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CAS Numbers: 150208-70-1 , 283-38-5 , [150208-70-1] , [283-38-5]

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) 0.38 0.69 -35.55 2 2 1 20 127.211 0 ↓
Hi High (pH 8-9.5) 0.38 1.65 -33.24 2 2 1 16 127.211 0 ↓
Hi High (pH 8-9.5) 0.38 -0.6 -1.01 1 2 0 15 126.203 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 58 - 79 Acros Organics
BP [°C] 77 - 79 (p=6 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP >250° Oakwood Chemical
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and 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; P305 + P351 + P338: IF IN EYES: Rinse cautio Acros Organics
R phrase R34: Causes burns. Acros Organics

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