200,000+ products from a single source!
sales@angenechem.com
1105196-80-2 | "1-(2-aminoethyl)-5-[(4-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one"
CAS No: 1105196-80-2 Catalog No: AG01FMHW MDL No:MFCD11986557
Product Description
Catalog Number:
AG01FMHW
Chemical Name:
"1-(2-aminoethyl)-5-[(4-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one"
CAS Number:
1105196-80-2
Molecular Formula:
C14H14ClN5O
Molecular Weight:
303.7469
MDL Number:
MFCD11986557
IUPAC Name:
1-(2-aminoethyl)-5-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C14H14ClN5O/c15-11-3-1-10(2-4-11)8-19-9-17-13-12(14(19)21)7-18-20(13)6-5-16/h1-4,7,9H,5-6,8,16H2
InChI Key:
OGPDGLLJCYSPIF-UHFFFAOYSA-N
SMILES:
NCCn1ncc2c1ncn(c2=O)Cc1ccc(cc1)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.75g/mol
Monoisotopic Mass:
303.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.