3-{[3-(4-benzylphenoxy)propyl](methyl)amino}propanoic acid

3-{[3-(4-benzylphenoxy)propyl](methyl)amino}propanoic acid

CAS: 423169-68-0

Formula: C20H25NO3

SMILES: CN(CCCOC1=CC=C(CC2=CC=CC=C2)C=C1)CCC(O)=O

IUPAC: 3-{[3-(4-benzylphenoxy)propyl](methyl)amino}propanoic acid

InChI: InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)

Composition: C (73.37%), H (7.70%), N (4.28%), O (14.66%)

Molar Mass: 327.424

Atom Count: 49

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	327.183443669
Formal Charge	0
FSP3	0.35
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HSXNVULMYZGNGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.93
Topological Polar Surface Area	49.77
Polarizability	37.29
Ring Count	2
Rotatable Bond Count	10

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Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	423169-68-0		$180.40-$1,534.15$180.40$235.44$543.49$1,023.53$1,534.15