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21863-68-3 | 1-Piperazinecarboxaldehyde,4-(2-methylpropyl)-
CAS No: 21863-68-3 Catalog No: AG007OZT MDL No:
Product Description
Catalog Number:
AG007OZT
Chemical Name:
1-Piperazinecarboxaldehyde,4-(2-methylpropyl)-
CAS Number:
21863-68-3
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
IUPAC Name:
4-(2-methylpropyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C9H18N2O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h8-9H,3-7H2,1-2H3
InChI Key:
AXXHITGPZZKPSO-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)CC(C)C
Properties
Complexity:
140
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:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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