6-chloro-7H-purin-2-amine

• ChemBase ID: 15094
• Molecular Formular: C5H4ClN5
• Molecular Mass: 169.57176
• Monoisotopic Mass: 169.01552283
• SMILES: c12c(nc(nc1Cl)N)[nH]cn2
• Canonical SMILES: Nc1nc(Cl)c2c(n1)[nH]cn2
• InChI: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
• InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-7H-purin-2-amine; 6-chloro-9H-purin-2-amine
• IUPAC Traditional name: 6-chloro-7H-purin-2-amine; 6-chloro-9H-purin-2-amine
• Synonyms: 6-chloro-7H-purin-2-amine; 6-Chloroguanine, 6-Chloro-2-aminopurine; 6-Chloro-9H-purin-2-amine; 2-Amino-6-chloro-9H-purine 99%; 2-Amino-6-chloropurine; 6-Chloroguanine; 2-Amino-6-chloropurine; 6-chloro-9H-purin-2-amine; 6-CHLOROGUANINE; 2-Amino-6-chloropurine; 2-Amino-6-chloropurine; 6-氯鸟嘌呤; 2-氨基-6-氯嘌呤

Database IDs

• CAS Number: 10310-21-1
• EC Number: 233-686-7
• MDL Number: MFCD00005567; MFCD00075252
• Beilstein Number: 9626
• PubChem SID: 24861051; 160978401; 24846937
• PubChem CID: 5360349

CALCULATED PROPERTIES

• Acid pKa: 10.120337
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3349706
• LogD (pH = 7.4): 0.33433697
• Log P: 0.33508012
• Molar Refractivity: 43.7181 cm^3
• Polarizability: 15.37451 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Alkaline Water; DMSO
• Apperance: Pale Yellow Solid
• Melting Point: >250°C; >300 °C(lit.); >300°C; >300°C
• Hydrophobicity(logP): -0.12

Safety Information

• Storage Condition: -20°C Freezer; Room Temperature (15-30°C)
• Storage Warning: IRRITANT, KEEP COLD; Irritant/Keep Cold
• RTECS: UO7502000
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (NT); ≥99%; 95%; 97%; 98%; 98+%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H4ClN5

DETAILS

MP Biomedicals - 02190179

Crystalline

Sigma Aldrich - 109789

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 342300

Packaging
1, 5 g in glass bottle