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4-(tert-butoxycarbonyl)-1-methylpiperazine-2-carboxylic acid

4-(tert-butoxycarbonyl)-1-methylpiperazine-2-carboxylic acid

CAS: 851882-93-4

Formula: C11H20N2O4

SMILES: CN1CCN(CC1C(O)=O)C(=O)OC(C)(C)C

IUPAC: 4-[(tert-butoxy)carbonyl]-1-methylpiperazine-2-carboxylic acid

InChI: InChI=1/C11H20N2O4/c1-11(2,3)17-10(16)13-6-5-12(4)8(7-13)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)

Composition: C (54.08%), H (8.25%), N (11.47%), O (26.20%)

Molar Mass: 244.291

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 244.142307132
Formal Charge 0
FSP3 0.82
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VWZNEKDBBGXKOE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.57
Topological Polar Surface Area 70.08
Polarizability 24.28
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 851882-93-4 $125.35-$1,370.80$125.35$143.75$171.35$227.70$342.70$1,370.80
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