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130516-62-0 | Piperazine,1-(2-pyrrolidinylmethyl)-, (S)- (9CI)
CAS No: 130516-62-0 Catalog No: AG000UJT MDL No:
Product Description
Catalog Number:
AG000UJT
Chemical Name:
Piperazine,1-(2-pyrrolidinylmethyl)-, (S)- (9CI)
CAS Number:
130516-62-0
Molecular Formula:
C9H19N3
Molecular Weight:
169.2673
IUPAC Name:
1-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
InChI:
InChI=1S/C9H19N3/c1-2-9(11-3-1)8-12-6-4-10-5-7-12/h9-11H,1-8H2/t9-/m0/s1
InChI Key:
IRZMKEGAPVIEMC-VIFPVBQESA-N
SMILES:
N1CCN(CC1)C[C@@H]1CCCN1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
169.158g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.272g/mol
Monoisotopic Mass:
169.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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