6-amino-2-[bis(carboxymethyl)amino]hexanoic acid hydrate

6-amino-2-[bis(carboxymethyl)amino]hexanoic acid hydrate

Formula: C10H20N2O7

SMILES: O.NCCCCC(N(CC(O)=O)CC(O)=O)C(O)=O

IUPAC: 6-amino-2-[bis(carboxymethyl)amino]hexanoic acid hydrate

InChI: InChI=1/C10H18N2O6.H2O/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16;/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18);1H2

Composition: C (42.85%), H (7.19%), N (10.00%), O (39.96%)

Molar Mass: 280.277

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	280.127050992
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	WTVPNZLAZFGAFK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.05
Topological Polar Surface Area	141.16
Polarizability	23.97
Ring Count	0
Rotatable Bond Count	10

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H20N2O7		Quote Only