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2-[2-amino-5-(2-oxopiperidin-1-yl)phenyl]acetonitrile

2-[2-amino-5-(2-oxopiperidin-1-yl)phenyl]acetonitrile

Formula: C13H15N3O

SMILES: NC1=C(CC#N)C=C(C=C1)N1CCCCC1=O

IUPAC: 2-[2-amino-5-(2-oxopiperidin-1-yl)phenyl]acetonitrile

InChI: InChI=1S/C13H15N3O/c14-7-6-10-9-11(4-5-12(10)15)16-8-2-1-3-13(16)17/h4-5,9H,1-3,6,8,15H2

Composition: C (68.10%), H (6.59%), N (18.33%), O (6.98%)

Molar Mass: 229.283

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.121512115
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PPVMTDRBFJMGKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.52
Topological Polar Surface Area 70.12
Polarizability 24.66
Ring Count 2
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C13H15N3O $900.00-$2,530.00$900.00$2,530.00
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