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(2R,5S)-2,5-diaminohexanedioic acid dihydrochloride

(2R,5S)-2,5-diaminohexanedioic acid dihydrochloride

CAS: 213686-09-0

Formula: C6H14Cl2N2O4

SMILES: Cl.Cl.N[C@@H](CC[C@@H](N)C(O)=O)C(O)=O

IUPAC: (2R,5S)-2,5-diaminohexanedioic acid dihydrochloride

InChI: InChI=1S/C6H12N2O4.2ClH/c7-3(5(9)10)1-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4+;;

Composition: C (28.93%), H (5.67%), Cl (28.46%), N (11.25%), O (25.69%)

Molar Mass: 249.09

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 248.0330623
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey OLQCFLWGFNLVME-NDXJVULZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.04
Topological Polar Surface Area 126.64
Polarizability 16.02
Ring Count 0
Rotatable Bond Count 5

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95% <5 Days 213686-09-0 $2,640.00-$4,180.00$2,640.00$4,180.00
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 213686-09-0 $355.60-$547.27$355.60$547.27
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