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21863-67-2 | 1-Piperazinecarboxaldehyde,4-butyl-
CAS No: 21863-67-2 Catalog No: AG006YZU MDL No:
Product Description
Catalog Number:
AG006YZU
Chemical Name:
1-Piperazinecarboxaldehyde,4-butyl-
CAS Number:
21863-67-2
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
IUPAC Name:
4-butylpiperazine-1-carbaldehyde
InChI:
InChI=1S/C9H18N2O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h9H,2-8H2,1H3
InChI Key:
MFUCSEPEJYAZEJ-UHFFFAOYSA-N
SMILES:
CCCCN1CCN(CC1)C=O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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