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tert-butyl 2-amino-3-(quinolin-4-yl)propanoate

tert-butyl 2-amino-3-(quinolin-4-yl)propanoate

CAS: 1543873-67-1

Formula: C16H20N2O2

SMILES: CC(C)(C)OC(=O)C(N)CC1=CC=NC2=CC=CC=C12

IUPAC: tert-butyl 2-amino-3-(quinolin-4-yl)propanoate

InChI: InChI=1/C16H20N2O2/c1-16(2,3)20-15(19)13(17)10-11-8-9-18-14-7-5-4-6-12(11)14/h4-9,13H,10,17H2,1-3H3

Composition: C (70.56%), H (7.40%), N (10.29%), O (11.75%)

Molar Mass: 272.348

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 272.152477892
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BPIXCHJVULVDKG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.61
Topological Polar Surface Area 65.21
Polarizability 32.15
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1543873-67-1 $687.70-$6,762.00$687.70$1,127.00$1,817.00$6,762.00
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