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3-(benzylamino)-2-methylpropanoic acid

3-(benzylamino)-2-methylpropanoic acid

CAS: 66839-25-6

Formula: C11H15NO2

SMILES: CC(CNCC1=CC=CC=C1)C(O)=O

IUPAC: 3-(benzylamino)-2-methylpropanoic acid

InChI: InChI=1/C11H15NO2/c1-9(11(13)14)7-12-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14)

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 193.110278727
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MHNYZRMMCUVHAA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.66
Topological Polar Surface Area 49.33
Polarizability 21.57
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 66839-25-6 $1,474.00-$3,894.00$1,474.00$3,894.00
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