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benzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

benzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

CAS: 35858-81-2

Formula: C18H19ClN2O2

SMILES: Cl.N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

InChI: InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m0./s1

Composition: C (65.35%), H (5.79%), Cl (10.72%), N (8.47%), O (9.67%)

Molar Mass: 330.81

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 330.1135056
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DOKDMGOWZOTZRA-NTISSMGPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.58
Topological Polar Surface Area 68.11
Polarizability 34.82
Ring Count 3
Rotatable Bond Count 6

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95% <5 Days 35858-81-2 $590.00$590.00
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