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methyl 3-(piperazin-2-yl)propanoate

methyl 3-(piperazin-2-yl)propanoate

CAS: 954240-18-7

Formula: C8H16N2O2

SMILES: COC(=O)CCC1CNCCN1

IUPAC: methyl 3-(piperazin-2-yl)propanoate

InChI: InChI=1/C8H16N2O2/c1-12-8(11)3-2-7-6-9-4-5-10-7/h7,9-10H,2-6H2,1H3

Composition: C (55.79%), H (9.36%), N (16.27%), O (18.58%)

Molar Mass: 172.228

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 172.121177763
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZVBLDSDYKOPQLT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.43
Topological Polar Surface Area 50.36
Polarizability 18.56
Ring Count 1
Rotatable Bond Count 4

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98% <2 Days 954240-18-7 $342.70-$5,612.00$342.70$457.70$687.70$977.50$1,587.00$5,612.00
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