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methyl (2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate hydrochloride

methyl (2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate hydrochloride

CAS: 847658-45-1

Formula: C22H27ClN2O4

SMILES: Cl[H].COC(=O)[C@H](CCCCN)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: methyl (2S)-6-amino-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoate hydrochloride

InChI: InChI=1S/C22H26N2O4.ClH/c1-27-21(25)20(12-6-7-13-23)24-22(26)28-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19;/h2-5,8-11,19-20H,6-7,12-14,23H2,1H3,(H,24,26);1H/t20-;/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 BFRSKAFOHYTUAS-BDQAORGHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.66
Topological Polar Surface Area 90.65
Polarizability 43.15
Ring Count 3
Rotatable Bond Count 10

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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 847658-45-1 $8.05-$226.55$8.05$11.50$28.75$83.95$226.55
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 847658-45-1 $157.32-$426.08$157.32$426.08
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