Home Other Building Blocks methyl 2-(piperazin-1-yl)butanoate

methyl 2-(piperazin-1-yl)butanoate

CAS No.:
1218333-65-3
Catalog Number:
AG01BA38
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
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Product Description
Catalog Number:
AG01BA38
Chemical Name:
methyl 2-(piperazin-1-yl)butanoate
CAS Number:
1218333-65-3
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD12818041
IUPAC Name:
methyl 2-piperazin-1-ylbutanoate
InChI:
InChI=1S/C9H18N2O2/c1-3-8(9(12)13-2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3
InChI Key:
CMUSGRQSEUDDID-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC)N1CCNCC1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties