UCSF

ZINC01693431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 Yes

CAS Numbers: 84-74-2 , [84-74-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.43 11.14 -12.33 0 4 0 53 278.348 10

Vendor Notes

Note Type Comments Provided By
Mp [°C] 35 Acros Organics
Melting_Point 35? Alfa-Aesar
Melting_Point 35° Alfa-Aesar
Boiling_Point 339-340? Alfa-Aesar
Boiling_Point 339-340° Alfa-Aesar
BP [°C] 340 Acros Organics
Solubility: Chloroform, Methanol Toronto Research Chemicals
UniProt Database Links CIART_MOUSE; CP2A4_MOUSE; CP2A5_MOUSE; CRY1_MOUSE; DBP10_NEUCR; DBP3_NEUCR; DBP4_NEUCR; DBP5_NEUCR; DBP7_NEUCR; DBP8_NEUCR; DBP9_NEUCR; DBP_MOUSE; DDX1_HUMAN; DHB4_HUMAN; DHB4_MOUSE; DHB4_RAT; DPOL_ADE02; DPPA_ECOLI; HLF_MOUSE; NAC22_ARATH; NFIL3_BOVIN; N ChEBI
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility Acros Organics
Melting Pt.: N/A Toronto Research Chemicals
P phrase P201: Obtain special instructions before use Acros Organics
Therapy plasticiser, suspect endocrine disruptor SMDC Pharmakon
R phrase R61: May cause harm to the unborn child. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
Hazard T: Toxic Acros Organics

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