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161667-07-8 | 1-Piperazineethanol, 4-amino-, 1-acetate
CAS No: 161667-07-8 Catalog No: AG001VSO MDL No:
Product Description
Catalog Number:
AG001VSO
Chemical Name:
1-Piperazineethanol, 4-amino-, 1-acetate
CAS Number:
161667-07-8
Molecular Formula:
C8H17N3O2
Molecular Weight:
187.2395
IUPAC Name:
2-(4-aminopiperazin-1-yl)ethyl acetate
InChI:
InChI=1S/C8H17N3O2/c1-8(12)13-7-6-10-2-4-11(9)5-3-10/h2-7,9H2,1H3
InChI Key:
TUYWQFHJCVOKFF-UHFFFAOYSA-N
SMILES:
NN1CCN(CC1)CCOC(=O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.132g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.243g/mol
Monoisotopic Mass:
187.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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