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3-methyl-2-{[(4-methylphenyl)methyl]amino}butanoic acid

3-methyl-2-{[(4-methylphenyl)methyl]amino}butanoic acid

Formula: C13H19NO2

SMILES: CC(C)C(NCC1=CC=C(C)C=C1)C(O)=O

IUPAC: 3-methyl-2-{[(4-methylphenyl)methyl]amino}butanoic acid

InChI: InChI=1/C13H19NO2/c1-9(2)12(13(15)16)14-8-11-6-4-10(3)5-7-11/h4-7,9,12,14H,8H2,1-3H3,(H,15,16)

Composition: C (70.56%), H (8.65%), N (6.33%), O (14.46%)

Molar Mass: 221.3

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.141578856
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XWDMATYLELXQKK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.92
Topological Polar Surface Area 49.33
Polarizability 25.17
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H19NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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