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Substance Name: 1H-Purine
RN: 120-73-0
UNII: W60KTZ3IZY
InChIKey: KDCGOANMDULRCW-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Tumor Data
Molecular Formula
- C5-H4-N4
Molecular Weight
- 120.1146
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1H-Purine
- Purine
Synonyms
- 1H-Purine
- 3,5,7-Triazaindole
- 3H-Imidazo(4,5-d)pyrimidine
- 6H-Imidazo(4,5-d)pyrimidine
- 7H-Purine
- 9H-Purine
- 9H-Purine (VAN)
- AI3-50208
- beta-Purine
- EINECS 204-421-2
- Imidazo(4,5-d)pyrimidine
- Isopurine
- NSC 753
- Purine
- UNII-W60KTZ3IZY
- X 128
Systematic Names
- 1H-Purine
- Purine
Registry Numbers
CAS Registry Number
- 120-73-0
FDA UNII
- W60KTZ3IZY
Other Registry Numbers
- 111055-93-7
- 273-25-6
- 273-26-7
- 51953-03-8
- 915749-01-8
System Generated Number
- 0000120730
Structure Descriptors
InChI
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)InChIKey
KDCGOANMDULRCW-UHFFFAOYSA-NSmiles
c1ncc2[nH]cnc2n1Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD10 | unreported | 400mg/kg (400mg/kg) | BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970. |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | Advances in Teratology. Vol. 3, Pg. 181, 1968. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 216.5 | deg C | EXP | |
pKa Dissociation Constant | 2.52 | (none) | 25 | EXP |
log P (octanol-water) | -0.37 | (none) | EXP | |
Water Solubility | 5.00E+05 | mg/L | 20 | EXP |
Vapor Pressure | 1.99E-05 | mm Hg | 25 | EST |
Henry's Law Constant | 1.99E-10 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.60E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.