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88268-16-0 | 1-Piperazinecarboxaldehyde, 4-(2-pyrimidinyl)-
CAS No: 88268-16-0 Catalog No: AG008AQN MDL No:
Product Description
Catalog Number:
AG008AQN
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(2-pyrimidinyl)-
CAS Number:
88268-16-0
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
IUPAC Name:
4-pyrimidin-2-ylpiperazine-1-carbaldehyde
InChI:
InChI=1S/C9H12N4O/c14-8-12-4-6-13(7-5-12)9-10-2-1-3-11-9/h1-3,8H,4-7H2
InChI Key:
UJJLDDNKCAHWIT-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ncccn1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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