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137066-47-8 | 2-Piperazinone, 4-(2-hydroxybutyl)-
CAS No: 137066-47-8 Catalog No: AG0012SX MDL No:MFCD28049028
Product Description
Catalog Number:
AG0012SX
Chemical Name:
2-Piperazinone, 4-(2-hydroxybutyl)-
CAS Number:
137066-47-8
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
MDL Number:
MFCD28049028
IUPAC Name:
4-(2-hydroxybutyl)piperazin-2-one
InChI:
InChI=1S/C8H16N2O2/c1-2-7(11)5-10-4-3-9-8(12)6-10/h7,11H,2-6H2,1H3,(H,9,12)
InChI Key:
IIEAUKQEVCMTCY-UHFFFAOYSA-N
SMILES:
CCC(CN1CCNC(=O)C1)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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