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722491-37-4 | 1-Piperazineaceticacid, 4-(2-cyanoethyl)-
CAS No: 722491-37-4 Catalog No: AG005J3D MDL No:MFCD04116866
Product Description
Catalog Number:
AG005J3D
Chemical Name:
1-Piperazineaceticacid, 4-(2-cyanoethyl)-
CAS Number:
722491-37-4
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD04116866
IUPAC Name:
2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid
InChI:
InChI=1S/C9H15N3O2/c10-2-1-3-11-4-6-12(7-5-11)8-9(13)14/h1,3-8H2,(H,13,14)
InChI Key:
XOTISHXWZPZELM-UHFFFAOYSA-N
SMILES:
N#CCCN1CCN(CC1)CC(=O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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