UCSF

ZINC00057220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 14 Yes

Popular Name: 1-(Boc-amino)cyclopropanecarboxylic acid 1-(Boc-amino)cyclopropanecarboxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 66494-26-6 , 88950-64-5 , [184637-48-7] , [88950-64-2] , [88950-64-5]

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) 0.82 2.43 -51.99 1 5 -1 78 200.214 4 ↓
Hi High (pH 8-9.5) 0.97 8.74 -62.55 1 9 -1 120 408.438 8 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 118? dec Alfa-Aesar
MP 173-181° Oakwood Chemical
MP 175o C Indofine
MP 176 - 178 Enamine Building Blocks
MP 177 - 179 Enamine Building Blocks
MP 177...179 Enamine Building Blocks
Mp [°C] 178 Acros Organics
MP 178 °C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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