UCSF

ZINC03861393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 1,4-Benzodioxan-6-amine 1,4-Benzodioxan-6-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22013-33-8 , 801316-07-4 , [22013-33-8] , [801316-07-4]

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) 0.52 1.51 -6.18 2 3 0 44 151.165 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 116-118?/3mm Alfa-Aesar
Boiling_Point 116-118°/3mm Alfa-Aesar
BP 162 / 9 TCI
BP 163-166°C/12mm Fluorochem
MP 20° Fluorochem
Melting_Point 26-30? Alfa-Aesar
Melting_Point 26-30° Alfa-Aesar
Purity 97% Fluorochem
Purity 98% Fluorochem
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H315: Causes skin irritation; H312: Harmful in contact with skin 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R38: Irritating to skin. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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