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ethyl 3-{[(4-methoxyphenyl)methyl]amino}propanoate hydrochloride

ethyl 3-{[(4-methoxyphenyl)methyl]amino}propanoate hydrochloride

CAS: 2376143-27-8

Formula: C13H20ClNO3

SMILES: Cl.CCOC(=O)CCNCC1=CC=C(OC)C=C1

IUPAC: ethyl 3-{[(4-methoxyphenyl)methyl]amino}propanoate hydrochloride

InChI: InChI=1S/C13H19NO3.ClH/c1-3-17-13(15)8-9-14-10-11-4-6-12(16-2)7-5-11;/h4-7,14H,3,8-10H2,1-2H3;1H

Composition: C (57.04%), H (7.36%), Cl (12.95%), N (5.12%), O (17.53%)

Molar Mass: 273.76

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 273.1131712
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DWOIDNNEFKJCBV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.07
Topological Polar Surface Area 47.56
Polarizability 26.18
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2376143-27-8 $134.55-$1,828.50$134.55$157.55$201.25$286.35$457.70$1,828.50
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