UCSF

ZINC00152724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

Popular Name: trans-2-Aminocyclohexanol hydrochloride trans-2-Aminocyclohexanol hydroc…

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CAS Numbers: 108267-20-5 , 13374-31-7 , 200352-28-9 , 5456-63-3 , 6850-38-0 , 6982-39-4 , 74111-21-0 , 89584-01-0 , 931-15-7 , 931-16-8 , [5456-63-3]

Download: MOL2 SDF SMILES Flexibase

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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) -0.06 -1.16 -37.25 4 2 1 48 116.184 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 162 - 164 Enamine Building Blocks
MP 162...164 Enamine Building Blocks
Melting_Point 172-175? Alfa-Aesar
Melting_Point 172-175° Alfa-Aesar
Mp [°C] 173 - 177 Acros Organics
MP 86 - 88 Enamine Building Blocks
MP 86...88 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.