4,6-Pteridinedione,2-amino-3,5-dihydro-,hydrate (1:1) supplier

Name
XANTHOPTERIN MONOHYDRATE
EINECS 204-325-0
CAS No. 5979-01-1
Density
Solubility
Melting Point >300 °C(lit.)
Formula C₆H₅N₅O₂.H₂O
Boiling Point 458.7 °C at 760 mmHg
Molecular Weight 197.15
Flash Point 231.2 °C
Transport Information
Appearance yellow to orange crystalline powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-Pteridinediol,2-amino-,hydrate (8CI);4,6-Pteridinedione,2-amino-1,5-dihydro-,monohydrate(9CI);2-Amino-1,5-dihydropteridine-4,6-dione hydrate;
PSA 127.27000
LogP -0.06990

4,6-Pteridinedione,2-amino-3,5-dihydro-,hydrate (1:1) Specification

The CAS registry number of 4,6-Pteridinedione,2-amino-3,5-dihydro-,hydrate (1:1) is 5979-01-1. The systematic name is 2-amino-1,5-dihydropteridine-4,6-dione hydrate. In addition, the molecular formula is C₆H₅N₅O₂.H₂O and the molecular weight is 197.15. It is a kind of yellow to orange crystalline powder and belongs to the classes of Pyridines; Pyrimidines; Purines and Pteredines. And it is sensitive with air.

Physical properties about 4,6-Pteridinedione,2-amino-3,5-dihydro-,hydrate (1:1) are: (1)ACD/LogP: -3.76; (2)ACD/LogD (pH 5.5): -3.86; (3)ACD/LogD (pH 7.4): -3.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)Polar Surface Area: 68.58 Å²; (11)Flash Point: 231.2 °C; (12)Enthalpy of Vaporization: 80.17 kJ/mol; (13)Boiling Point: 458.7 °C at 760 mmHg; (14)Vapour Pressure: 6.64E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes. In addition, you should not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(\NC=2/N=C\C(=O)NC1=2)N.O
(2)InChI: InChI=1/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2
(3)InChIKey: GXYCFNCAIXIUMR-UHFFFAOYAE

Product Name

XANTHOPTERIN MONOHYDRATE

4,6-Pteridinedione,2-amino-3,5-dihydro-,hydrate (1:1) Specification

Related Products

Hot Products