UCSF

ZINC00388569

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 3,4-Dimethoxybenzyl alcohol 3,4-Dimethoxybenzyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1993-3-8 , 93-03-8

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) 0.92 1.01 -8.26 1 3 0 39 168.192 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 173 / 14 TCI
Mp [°C] 22 Acros Organics
M.P 22 °C Indofine
BP [°C] 296 - 297 (p=732 torr) Acros Organics
Boiling_Point 297-298? Alfa-Aesar
Boiling_Point 297-298° Alfa-Aesar
Purity 95% Fluorochem
UniProt Database Links ADHN_RHOER; APO1_AGRAE; APO1_COPRA; LAC1_PYCCI; LIG2_PHACH; LIG3_PHACH; LIG4_PHACH; LIG5_PHACH; LIG6_PHACH; LIG8_PHACH; LIGA_PHACH; LIGA_TRAVE; LIGB_PHACH; LIGB_TRAVE; LIGC_TRAVE; LIG_PHLRA; LNP_TAICA ChEBI
Melting_Point ca 22? Alfa-Aesar
Melting_Point ca 22° Alfa-Aesar
H phrase H302: Harmful if swallowed Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XN: Harmful Acros Organics

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