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141578-00-9 | Carbonic acid, methyl 2-(1-piperazinyl)ethyl ester
CAS No: 141578-00-9 Catalog No: AG001GMC MDL No:
Product Description
Catalog Number:
AG001GMC
Chemical Name:
Carbonic acid, methyl 2-(1-piperazinyl)ethyl ester
CAS Number:
141578-00-9
Molecular Formula:
C8H16N2O3
Molecular Weight:
188.2242
IUPAC Name:
2-piperazin-1-ylpropyl carbonate
InChI:
InChI=1S/C8H16N2O3/c1-7(6-13-8(11)12)10-4-2-9-3-5-10/h7,9H,2-6H2,1H3,(H,11,12)/p-1
InChI Key:
NIRPFLBQHGYPDC-UHFFFAOYSA-M
SMILES:
COC(=O)OCCN1CCNCC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.108g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.219g/mol
Monoisotopic Mass:
187.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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