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4-[benzyl(methyl)amino]butanoic acid

4-[benzyl(methyl)amino]butanoic acid

Formula: C12H17NO2

SMILES: CN(CCCC(O)=O)CC1=CC=CC=C1

IUPAC: 4-[benzyl(methyl)amino]butanoic acid

InChI: InChI=1S/C12H17NO2/c1-13(9-5-8-12(14)15)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,15)

Composition: C (69.54%), H (8.27%), N (6.76%), O (15.44%)

Molar Mass: 207.273

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.125928791
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IRLUUHAUSAMJSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.14
Topological Polar Surface Area 40.54
Polarizability 23.41
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H17NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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