UCSF

ZINC00057164

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 4,4'-Bis(dimethylamino)diphenylmethane 4,4'-Bis(dimethylamino)diphenylm…

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CAS Numbers: 101-61-1 , 30135-64-9 , [101-61-1]

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) 4.10 9.8 -5.33 0 2 0 6 254.377 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155-157?/0.1mm Alfa-Aesar
Boiling_Point 155-157°/0.1mm Alfa-Aesar
BP [°C] 390 Acros Organics
Melting_Point 85-88? Alfa-Aesar
Melting_Point 85-88° Alfa-Aesar
Mp [°C] 86 - 90 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 TCI
purity 95 Enamine Building Blocks
H phrase H350: May cause cancer Acros Organics
H phrase H350: May cause cancer; H410: Very toxic to aquatic life with long lasting effects Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P273: Avoid release to the environment Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must be disposed of as hazardous waste. 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% )