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methyl 3-amino-3-[4-(benzyloxy)phenyl]propanoate

methyl 3-amino-3-[4-(benzyloxy)phenyl]propanoate

CAS: 752966-27-1

Formula: C17H19NO3

SMILES: COC(=O)CC(N)C1=CC=C(OCC2=CC=CC=C2)C=C1

IUPAC: methyl 3-amino-3-[4-(benzyloxy)phenyl]propanoate

InChI: InChI=1/C17H19NO3/c1-20-17(19)11-16(18)14-7-9-15(10-8-14)21-12-13-5-3-2-4-6-13/h2-10,16H,11-12,18H2,1H3

Composition: C (71.56%), H (6.71%), N (4.91%), O (16.82%)

Molar Mass: 285.343

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 285.136493476
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ILCMUDOUJORZIK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.83
Topological Polar Surface Area 61.55
Polarizability 32.09
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 752966-27-1 $343.85-$925.75$343.85$925.75
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 752966-27-1 $242.19-$692.42$242.19$692.42
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