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79511-53-8 | 1-Piperazinecarboxylicacid, 4-(3-aminopropyl)-, ethyl ester
CAS No: 79511-53-8 Catalog No: AG0051ED MDL No:
Product Description
Catalog Number:
AG0051ED
Chemical Name:
1-Piperazinecarboxylicacid, 4-(3-aminopropyl)-, ethyl ester
CAS Number:
79511-53-8
Molecular Formula:
C10H21N3O2
Molecular Weight:
215.2926
IUPAC Name:
ethyl 4-(3-aminopropyl)piperazine-1-carboxylate
InChI:
InChI=1S/C10H21N3O2/c1-2-15-10(14)13-8-6-12(7-9-13)5-3-4-11/h2-9,11H2,1H3
InChI Key:
SQCPREVEQCOKSE-UHFFFAOYSA-N
SMILES:
NCCCN1CCN(CC1)C(=O)OCC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.163g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.297g/mol
Monoisotopic Mass:
215.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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