UCSF

ZINC04521666

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 Yes

Popular Name: 7-Methoxy-1-tetralone 7-Methoxy-1-tetralone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6386-19-7 , 6836-19-7 , [6836-19-7]

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) 2.27 1.12 -9.59 0 2 0 26 176.215 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 55 - 59 Enamine Building Blocks
MP 56 - 58 Enamine Building Blocks
MP 56...58 Enamine Building Blocks
melting_point 59-63 deg KeyOrganics
Melting_Point 59-63? Alfa-Aesar
Melting_Point 59-63° Alfa-Aesar
Mp [°C] 61 - 63 Acros Organics
MP 62 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P30 Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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