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2,6-Diaminopurine(CAS No. 1904-98-9)

2,6-Diaminopurine C5H6N6 (cas 1904-98-9) Molecular Structure

1904-98-9 Structure

Identification and Related Records

【Name】
2,6-Diaminopurine
【CAS Registry number】
1904-98-9
【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(EC#)】
217-605-2
【Molecular Formula】
C5H6N6 (Products with the same molecular formula)
【Molecular Weight】
150.14
【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)
【InChIKey】
MSSXOMSJDRHRMC-UHFFFAOYSA-N
【Canonical SMILES】
C1=NC2=C(N1)C(=NC(=N2)N)N
【MOL File】
1904-98-9.mol

Chemical and Physical Properties

【Appearance】
light yellow powder
【Density】
1.743 g/cm3
【Melting Point】
302℃
【Vapour】
3.65E-05mmHg at 25°C
【Refractive Index】
2.109
【Flash Point】
447.8 °C
【Water】
2.38 g/L (20℃)
【Solubilities】
Very soluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:150.14134 [g/mol]
Molecular Formula:C5H6N6
XLogP3:-0.9
H-Bond Donor:3
H-Bond Acceptor:0
Rotatable Bond Count:0
Tautomer Count:26
Exact Mass:150.065394
MonoIsotopic Mass:150.065394
Topological Polar Surface Area:107
Heavy Atom Count:11
Formal Charge:0
Complexity:150
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:3
Feature 3D Cation Count:3
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R40
【Safety Statements 】
S36/37;S45

Biomedical Effects and Toxicity

【Pharmacological Action】
- Compounds that inhibit cell production of DNA or RNA.

Supplier Location

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Telephone:86-21-60542966
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