3-amino-3-[3-(4-tert-butylphenoxy)phenyl]propanoic acid

3-amino-3-[3-(4-tert-butylphenoxy)phenyl]propanoic acid

CAS: 773125-02-3

Formula: C19H23NO3

SMILES: CC(C)(C)C1=CC=C(OC2=CC=CC(=C2)C(N)CC(O)=O)C=C1

IUPAC: 3-amino-3-[3-(4-tert-butylphenoxy)phenyl]propanoic acid

InChI: InChI=1/C19H23NO3/c1-19(2,3)14-7-9-15(10-8-14)23-16-6-4-5-13(11-16)17(20)12-18(21)22/h4-11,17H,12,20H2,1-3H3,(H,21,22)

Composition: C (72.82%), H (7.40%), N (4.47%), O (15.32%)

Molar Mass: 313.397

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	313.167793605
Formal Charge	0
FSP3	0.32
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XHJLREKPQSDIJK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.89
Topological Polar Surface Area	72.55
Polarizability	35.5
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	773125-02-3		$2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00