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158773-35-4 | 1-Piperazineacetic acid, 4-amino-, ethyl ester
CAS No: 158773-35-4 Catalog No: AG001QUZ MDL No:
Product Description
Catalog Number:
AG001QUZ
Chemical Name:
1-Piperazineacetic acid, 4-amino-, ethyl ester
CAS Number:
158773-35-4
Molecular Formula:
C8H17N3O2
Molecular Weight:
187.2395
IUPAC Name:
ethyl 2-(4-aminopiperazin-1-yl)acetate
InChI:
InChI=1S/C8H17N3O2/c1-2-13-8(12)7-10-3-5-11(9)6-4-10/h2-7,9H2,1H3
InChI Key:
VFBJPHFLHRKYMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCN(CC1)N
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:
-0.4
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