2,6-Diaminopurine
Names
[ CAS No. ]:
1904-98-9
[ Name ]:
2,6-Diaminopurine
[Synonym ]:
26DAPY
2,6-diamino-purin
2,6-diamino purine
1H-Purine-2,6-diamine
7H-Purine-2,6-diamine
MFCD00071537
diaminopurine
2,6-Daminopurine
EINECS 205-507-2
2-Aminoadenine
3H-Purine-2,6-diamine
2,6-diamino-9H-purine
2,4-HEXANEDIONE
x79
2,6-Diaminopurine
9H-2,6-diaminopurine
9H-Purine-2,6-diamine
Abacavir Impurity 11
Biological Activity
[Description]:
[Related Catalog]:
[In Vitro]
Chemical & Physical Properties
[ Density]:
1.7±0.1 g/cm3
[ Boiling Point ]:
749.0±63.0 °C at 760 mmHg
[ Melting Point ]:
117-122 °C(lit.)
[ Molecular Formula ]:
C5H6N6
[ Molecular Weight ]:
150.14
[ Flash Point ]:
447.8±20.9 °C
[ Exact Mass ]:
150.065399
[ PSA ]:
106.50000
[ LogP ]:
-0.21
[ Vapour Pressure ]:
0.0±2.5 mmHg at 25°C
[ Index of Refraction ]:
1.940
[ Water Solubility ]:
2.38 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UO7524000
- CHEMICAL NAME :
- Purine, 2,6-diamino-
- CAS REGISTRY NUMBER :
- 1904-98-9
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C5-H6-N6
- MOLECULAR WEIGHT :
- 150.17
- WISWESSER LINE NOTATION :
- T56 BN DN FN HMJ GZ IZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 202 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD10 - Lethal Dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 70 mg/kg
- TOXIC EFFECTS :
- Blood - changes in bone marrow (not otherwise specified)
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Microorganism - not otherwise specified
- DOSE/DURATION :
- 500 mg/L
- REFERENCE :
- SOGEBZ Soviet Genetics. English translation of GNKAA5. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.2- 1966- Volume(issue)/page/year: 6,1509,1970
Safety Information
[ Symbol ]:
GHS07, GHS08
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335-H351
[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R40
[ Safety Phrases ]:
S26-S45-S36/37-S36/37/39-S27
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
US7570000
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Phys. Chem. Chem. Phys. 12(20) , 5375-88, (2010)
To explore the excited state dynamics of pyrimidine derivatives, we performed a combined experimental and theoretical study. We present resonant two-photon ionization (R2PI) and IR-UV double resonance...
Formation and helicity control of ssDNA templated porphyrin nanoassemblies.Chem. Commun. (Camb.) 49(10) , 1020-2, (2013)
We report the formation of left- (M-helix) and right-handed (P-helix) nanoassemblies of a porphyrin-diaminopurine conjugate (Por-DAP) templated by a single stranded oligodeoxythymidine (dT40) via dire...
Simulations of A-RNA duplexes. The effect of sequence, solute force field, water model, and salt concentration.J. Phys. Chem. B 116(33) , 9899-916, (2012)
We have carried out an extended reference set of explicit solvent molecular dynamics simulations (63 simulations with 8.4 μs of simulation data) of canonical A-RNA duplexes. Most of the simulations we...