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9H-Purin-6-amine,hydrochloride (1:1)(CAS No. 2922-28-3)

9H-Purin-6-amine,hydrochloride (1:1) C5H5N5.HCl (cas 2922-28-3) Molecular Structure

2922-28-3 Structure

Identification and Related Records

【Name】
9H-Purin-6-amine,hydrochloride (1:1)
【CAS Registry number】
2922-28-3
【Synonyms】
1H-Purin-6-amine,monohydrochloride (9CI)
Adenine, monohydrochloride (8CI)
Adeninehydrochloride
Leucon
【EINECS(EC#)】
220-867-0
【Molecular Formula】
C5H5N5.HCl (Products with the same molecular formula)
【Molecular Weight】
171.58764
【Inchi】
InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
【InChIKey】
UQVDQSWZQXDUJB-UHFFFAOYSA-N
【Canonical SMILES】
C1=NC2=C(N1)C(=NC=N2)N.Cl
【MOL File】
2922-28-3.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
g/cm3
【Melting Point】
285 ºC (dec.)
【Boiling Point】
553.5 °C at 760 mmHg
【Flash Point】
322.7 °C
【Water】
H2O: 50 mg/mL
【Solubilities】
H2O: 50 mg/mL
【Computed Properties】
Molecular Weight:171.58764 [g/mol]
Molecular Formula:C5H6ClN5
H-Bond Donor:3
H-Bond Acceptor:0
Rotatable Bond Count:0
Tautomer Count:8
Exact Mass:171.031173
MonoIsotopic Mass:171.031173
Topological Polar Surface Area:80.5
Heavy Atom Count:11
Formal Charge:0
Complexity:127
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:2

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R22
【Safety Statements 】
26-36

Supplier Location

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