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1260772-91-5 | Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-phenyl-, hydrochloride (1:1)
CAS No: 1260772-91-5 Catalog No: AG000R7J MDL No:
Product Description
Catalog Number:
AG000R7J
Chemical Name:
Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-phenyl-, hydrochloride (1:1)
CAS Number:
1260772-91-5
Molecular Formula:
C13H14ClN3
Molecular Weight:
247.7234
IUPAC Name:
2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C13H13N3.ClH/c1-2-4-10(5-3-1)13-15-8-11-6-7-14-9-12(11)16-13;/h1-5,8,14H,6-7,9H2;1H
InChI Key:
ZIQHOVHGPXCMNZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc2c(n1)CNCC2.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.726g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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