Home Halogens 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3,6-dichloro-N-(3R)-3-piperidinyl-, hydrochloride (1:1)

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3,6-dichloro-N-(3R)-3-piperidinyl-, hydrochloride (1:1)

CAS No.:
2007916-10-9
Catalog Number:
AG002CYU
Molecular Formula:
C10H13Cl3N6
Molecular Weight:
323.6094
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Product Description
Catalog Number:
AG002CYU
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3,6-dichloro-N-(3R)-3-piperidinyl-, hydrochloride (1:1)
CAS Number:
2007916-10-9
Molecular Formula:
C10H13Cl3N6
Molecular Weight:
323.6094
MDL Number:
MFCD30471594
IUPAC Name:
3,6-dichloro-N-[(3R)-piperidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
InChI:
InChI=1S/C10H12Cl2N6.ClH/c11-7-6-8(14-5-2-1-3-13-4-5)15-10(12)16-9(6)18-17-7;/h5,13H,1-4H2,(H2,14,15,16,17,18);1H/t5-;/m1./s1
InChI Key:
ITFIESAOEVDNGT-NUBCRITNSA-N
SMILES:
Clc1nc(N[C@@H]2CCCNC2)c2c(n1)[nH]nc2Cl.Cl
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
322.027g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
323.606g/mol
Monoisotopic Mass:
322.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties