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tert-butyl (2S)-3-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoate hydrochloride

tert-butyl (2S)-3-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoate hydrochloride

CAS: 2098497-06-2

Formula: C22H27ClN2O4

SMILES: Cl.CC(C)(C)OC(=O)[C@H](CN)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: tert-butyl (2S)-3-amino-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoate hydrochloride

InChI: InChI=1S/C22H26N2O4.ClH/c1-22(2,3)28-20(25)19(12-23)24-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;/h4-11,18-19H,12-13,23H2,1-3H3,(H,24,26);1H/t19-;/m0./s1

Composition: C (63.08%), H (6.50%), Cl (8.46%), N (6.69%), O (15.28%)

Molar Mass: 418.92

Atom Count: 56

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 418.1659351
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HBBNGRFPZAWXOM-FYZYNONXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.35
Topological Polar Surface Area 90.65
Polarizability 43.15
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS UnitPrice
98% <10 Days 2098497-06-2 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 2098497-06-2 $63.05-$90.79$63.05$90.79
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