UCSF

ZINC03861799

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 Yes

Popular Name: 4,4'-((4-Iminocyclohexa-2,5-dien-1-ylidene)methylene)dianiline hydrochloride 4,4'-((4-Iminocyclohexa-2,5-dien…

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CAS Numbers: 569-61-9 , 6035-94-5 , 632-99-5 , [569-61-9]

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) 1.58 5.94 -7.59 5 3 0 76 287.366 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 268 - 270 Acros Organics
Melting_Point 268-270? dec. Alfa-Aesar
Melting_Point 268-270° dec. Alfa-Aesar
Purity 95% Fluorochem
H phrase H350: May cause cancer 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 Acros Organics
R phrase R45: May cause cancer. 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). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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