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116311-00-3 | 1-Piperazinemethanol, α-ethyl-4-methyl-
CAS No: 116311-00-3 Catalog No: AG000C68 MDL No:
Product Description
Catalog Number:
AG000C68
Chemical Name:
1-Piperazinemethanol, α-ethyl-4-methyl-
CAS Number:
116311-00-3
Molecular Formula:
C8H18N2O
Molecular Weight:
158.2413
IUPAC Name:
1-(4-methylpiperazin-1-yl)propan-1-ol
InChI:
InChI=1S/C8H18N2O/c1-3-8(11)10-6-4-9(2)5-7-10/h8,11H,3-7H2,1-2H3
InChI Key:
WTWFAHZMKQVREQ-UHFFFAOYSA-N
SMILES:
CCC(N1CCN(CC1)C)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.142g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.245g/mol
Monoisotopic Mass:
158.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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