Home Other Building Blocks lithium(1+) ion 4-(4-methylpiperazin-1-yl)but-2-ynoate

lithium(1+) ion 4-(4-methylpiperazin-1-yl)but-2-ynoate

CAS No.:
1989671-62-6
Catalog Number:
AG01B6EB
Molecular Formula:
C9H13LiN2O2
Molecular Weight:
188.1527
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Product Description
Catalog Number:
AG01B6EB
Chemical Name:
lithium(1+) ion 4-(4-methylpiperazin-1-yl)but-2-ynoate
CAS Number:
1989671-62-6
Molecular Formula:
C9H13LiN2O2
Molecular Weight:
188.1527
MDL Number:
MFCD30342813
IUPAC Name:
lithium;4-(4-methylpiperazin-1-yl)but-2-ynoate
InChI:
InChI=1S/C9H14N2O2.Li/c1-10-5-7-11(8-6-10)4-2-3-9(12)13;/h4-8H2,1H3,(H,12,13);/q;+1/p-1
InChI Key:
FEOBDZJOGWUENF-UHFFFAOYSA-M
SMILES:
CN1CCN(CC1)CC#CC(=O)[O-].[Li+]
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.114g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.155g/mol
Monoisotopic Mass:
188.114g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties