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CAS No.: | 1904-98-9 |
---|---|
Name: | 2,6-Diaminopurine |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C5H6N6 |
Molecular Weight: | 150.143 |
Synonyms: | Purine, 2, 6-diamino-;1H-Purine-2,6-diamine;SQ 21065;Purine, 2,6-diamino-;Purine, 2,6-diamino- (VAN 8CI);2-Aminoadenine;X 79;5H-purine-2,6-diamine;2,6-Dichloropurine;purine-2,6-diyldiamine;2,6-Diaminopurine 98%;9H-purine-2,6-diamine;2,6-diamino-purin; |
EINECS: | 217-605-2 |
Density: | 1.743 g/cm3 |
Melting Point: | 117-122 °C(lit.) |
Boiling Point: | 748.992 °C at 760 mmHg |
Flash Point: | 447.815 °C |
Solubility: | water: 2.38 g/L (20 °C) |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38-40-20/21/22 |
Safety: | 26-45-36/37-36/37/39-27-36-22 |
PSA: | 106.50000 |
LogP: | 0.67970 |
2,6-Diaminopurine hemisulfate
2,6-diaminopurine
Conditions | Yield |
---|---|
With Dowex 50X8 (H-form) In water Ambient temperature; | 92% |
ethanol
2-azidoadenine
A
8-ethoxy-2,6-diaminopurine
B
2,6-diaminopurine
Conditions | Yield |
---|---|
Ambient temperature; Irradiation; | A 11% B 75% |
Product distribution; Ambient temperature; Irradiation; | A 11% B 75% |
2-azidoadenine
2,6-diaminopurine
Conditions | Yield |
---|---|
In isopropyl alcohol Product distribution; Ambient temperature; Irradiation; or tert-butyl alcohol; | 65% |
methanol
2-azidoadenine
A
8-methoxy-2,6-diaminopurine
B
2,6-diaminopurine
Conditions | Yield |
---|---|
for 1.16667h; Ambient temperature; Irradiation; | A 37% B 37% |
for 1.16667h; Product distribution; Ambient temperature; Irradiation; | A 37% B 37% |
2,6 dichloropurine
A
4-cyano-5-(cyanoamino)imidazole
B
2-chloroadenine
C
2,6-diaminopurine
Conditions | Yield |
---|---|
With potassium amide In ammonia at -33℃; for 20h; | A 25% B 12% C 13% |
4-amidino-5-(cyanamino)imidazole
2,6-diaminopurine
Conditions | Yield |
---|---|
Heating; |
2-Amino-6-chloropurin
A
4-cyano-5-(cyanoamino)imidazole
B
2,6-diaminopurine
Conditions | Yield |
---|---|
With potassium amide In ammonia at -33℃; for 20h; Yield given. Yields of byproduct given; |
A
2,6-diaminopurine
Conditions | Yield |
---|---|
With E. coli purine nucleoside phosphorylase Enzyme kinetics; Substitution; |
A
2,6-diaminopurine
Conditions | Yield |
---|---|
With E. coli purine nucleoside phosphorylase Enzyme kinetics; Substitution; |
4-cyano-5-(cyanoamino)imidazole
2,6-diaminopurine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: KNH2 / liquid ammonia 2: Heating View Scheme |
The 2,6-Diaminopurine is an organic compound with the formula C5H6N6. The IUPAC name of this chemical is 7H-purine-2,6-diamine. With the CAS registry number 1904-98-9, it is also named as 1H-Purine-2,6-diamine. The product's categories are Amineprimary; Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Purine; Amines; Purines; Amine Monomers; Monomers; Primary Amines. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about 2,6-Diaminopurine are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.453; (5)ACD/KOC (pH 7.4): 16.223; (6)#H bond acceptors: 6; (7)#H bond donors: 5; (8)Polar Surface Area: 106.5 Å2; (9)Index of Refraction: 1.94; (10)Molar Refractivity: 41.275 cm3; (11)Molar Volume: 86.103 cm3; (12)Polarizability: 16.363×10-24cm3; (13)Surface Tension: 157.072 dyne/cm; (14)Density: 1.744 g/cm3; (15)Flash Point: 447.815 °C; (16)Enthalpy of Vaporization: 109.175 kJ/mol; (17)Boiling Point: 748.992 °C at 760 mmHg.
Preparation: this chemical can be prepared by 2,6-Diaminopurine hemisulfate. This reaction will need reagent Dowex 50X8 (H-form) and solvent H2O. The yield is about 92%.
Uses of 2,6-Diaminopurine: it can be used to produce 9-(2,2-diethoxy-ethyl)-9H-purine-2,6-diamine at temperature of 100 °C. It will need solvent dimethylformamide with reaction time of 10 hours. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It has limited evidence of a carcinogenic effect. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, do not breathe dust and take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: c1[nH]c2c(nc(nc2n1)N)N
(2)InChI: InChI=1/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
(3)InChIKey: MSSXOMSJDRHRMC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
(5)Std. InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD10 | unreported | 70mg/kg (70mg/kg) | BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970. |
mouse | LD50 | intraperitoneal | 202mg/kg (202mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
rat | LD50 | intraperitoneal | > 200mg/kg (200mg/kg) | Advances in Teratology. Vol. 3, Pg. 181, 1968. |