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2-{[(4-ethoxy-3-methoxyphenyl)methyl]amino}propanoic acid

2-{[(4-ethoxy-3-methoxyphenyl)methyl]amino}propanoic acid

Formula: C13H19NO4

SMILES: CCOC1=CC=C(CNC(C)C(O)=O)C=C1OC

IUPAC: 2-{[(4-ethoxy-3-methoxyphenyl)methyl]amino}propanoic acid

InChI: InChI=1/C13H19NO4/c1-4-18-11-6-5-10(7-12(11)17-3)8-14-9(2)13(15)16/h5-7,9,14H,4,8H2,1-3H3,(H,15,16)

Composition: C (61.64%), H (7.56%), N (5.53%), O (25.27%)

Molar Mass: 253.298

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 253.131408096
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YMCYBVKGUXLEKR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.56
Topological Polar Surface Area 67.79
Polarizability 26.62
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H19NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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