1,5-dimethyl 3-aminopentanedioate; acetic acid

1,5-dimethyl 3-aminopentanedioate; acetic acid

CAS: 1345983-89-2

Formula: C9H17NO6

SMILES: CC(O)=O.COC(=O)CC(N)CC(=O)OC

IUPAC: 1,5-dimethyl 3-aminopentanedioate; acetic acid

InChI: InChI=1S/C7H13NO4.C2H4O2/c1-11-6(9)3-5(8)4-7(10)12-2;1-2(3)4/h5H,3-4,8H2,1-2H3;1H3,(H,3,4)

Composition: C (45.95%), H (7.28%), N (5.95%), O (40.81%)

Molar Mass: 235.236

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	235.105587271
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QJGRKOMLBCJWAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.7
Topological Polar Surface Area	78.62
Polarizability	16.78
Ring Count	0
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1345983-89-2		$84.49-$317.77$84.49$317.77