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ethyl 2-(1-benzylpiperidin-3-yl)-3-nitropropanoate

ethyl 2-(1-benzylpiperidin-3-yl)-3-nitropropanoate

CAS: 1357352-31-8

Formula: C17H24N2O4

SMILES: CCOC(=O)C(C[N+]([O-])=O)C1CCCN(CC2=CC=CC=C2)C1

IUPAC: ethyl 2-(1-benzylpiperidin-3-yl)-3-nitropropanoate

InChI: InChI=1/C17H24N2O4/c1-2-23-17(20)16(13-19(21)22)15-9-6-10-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3

Composition: C (63.73%), H (7.55%), N (8.74%), O (19.97%)

Molar Mass: 320.389

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 320.173607261
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey IGSPOQYRPVORNS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.67
Topological Polar Surface Area 72.68
Polarizability 34.06
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1357352-31-8 $147.42-$1,592.14$147.42$265.36$530.71$1,592.14
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