UCSF

ZINC01593930

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 7 Yes

Popular Name: 4-Aminopyrimidine 4-Aminopyrimidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 174500-31-3 , 581-54-8 , 591-54-8 , 7051-34-5

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.38 1.3 -5.6 2 3 0 52 95.105 0 ↓
Lo Low (pH 4.5-6) -0.38 -2.13 -30.79 3 3 1 53 96.113 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 147-152? Alfa-Aesar
Melting_Point 147-152° Alfa-Aesar
MP 148-150° Oakwood Chemical
MP 149 - 151 Enamine Building Blocks
MP 149...151 Enamine Building Blocks
Mp [°C] 151 - 155 Acros Organics
MP 152 TCI
MP 154 - 156 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Patent Database Links EP0992240; EP1422218; US2003229092; US2005026935; US2005143387; US2006135543; WO2005007083; WO2005007085; WO2005010008; WO2005014573; WO2005016914; WO2005030216; WO2005047280; WO2005047288; WO2005058883; WO2005066171; WO2005070929; WO2005074603; WO2005077 ChEBI
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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