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(2S)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-methylpiperazine-2-carboxylic acid hydrochloride

(2S)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-methylpiperazine-2-carboxylic acid hydrochloride

CAS: 2703746-28-3

Formula: C21H23ClN2O4

SMILES: Cl.CN1CCN(C[C@H]1C(O)=O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1-methylpiperazine-2-carboxylic acid hydrochloride

InChI: InChI=1S/C21H22N2O4.ClH/c1-22-10-11-23(12-19(22)20(24)25)21(26)27-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;/h2-9,18-19H,10-13H2,1H3,(H,24,25);1H/t19-;/m0./s1

Composition: C (62.61%), H (5.75%), Cl (8.80%), N (6.95%), O (15.88%)

Molar Mass: 402.88

Atom Count: 51

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 402.1346349
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PXLCEQBBGIKBTF-FYZYNONXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.78
Topological Polar Surface Area 70.08
Polarizability 40.32
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2703746-28-3 $286.35-$7,912.00$286.35$454.25$793.50$1,472.00$2,162.00$7,912.00
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