4-chloro-6,7-dihydr...

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine(CAS No. 5461-89-2)

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine(CAS No. 5461-89-2)

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Keywords

5-chloro-2,4-diazabicyclo[4.3.0]nona-2,4,10-trien-3-amine 5461-89-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
【Iupac name】
4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
【CAS Registry number】
5461-89-2
【Synonyms】
4-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-amine
5461-89-2
NSC25079
AC1L5JAH
AC1Q3PVW
MolPort-019-795-959
AR-1G1719
NSC-25079
AG-K-80338
【Molecular Formula】
C7H8ClN3 (Products with the same molecular formula)
【Molecular Weight】
169.6115
【Inchi】
InChI=1/C7H8ClN3/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2,(H2,9,10,11)
【Canonical SMILES】
C1CC2=C(C1)N=C(N=C2Cl)N
【MOL File】
5461-89-2.mol
Chemical and Physical Properties
【Density】
1.422g/cm3
【Boiling Point】
391.1°C at 760 mmHg
【Refractive Index】
1.654
【Flash Point】
190.4°C
【Computed Properties】
Molecular Weight:169.61152 [g/mol]
Molecular Formula:C7H8ClN3
XLogP3-AA:1.5
H-Bond Donor:1
H-Bond Acceptor:0
Rotatable Bond Count:0
Tautomer Count:6
Exact Mass:169.040675
MonoIsotopic Mass:169.040675
Topological Polar Surface Area:51.8
Heavy Atom Count:11
Formal Charge:0
Complexity:153
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 Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0.6
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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