1,3-diethyl 5-aminobenzene-1,3-dicarboxylate hydrochloride

1,3-diethyl 5-aminobenzene-1,3-dicarboxylate hydrochloride

CAS: 42122-73-6

Formula: C12H16ClNO4

SMILES: Cl.CCOC(=O)C1=CC(=CC(N)=C1)C(=O)OCC

IUPAC: 1,3-diethyl 5-aminobenzene-1,3-dicarboxylate hydrochloride

InChI: InChI=1S/C12H15NO4.ClH/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2;/h5-7H,3-4,13H2,1-2H3;1H

Composition: C (52.66%), H (5.89%), Cl (12.95%), N (5.12%), O (23.38%)

Molar Mass: 273.71

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.0767857
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KROZITDVWZMYOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.31
Topological Polar Surface Area	78.62
Polarizability	24.03
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	42122-73-6		$24.84-$1,192.32$24.84$43.47$112.82$360.18$1,192.32

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	42122-73-6		$22.70-$1,189.12$22.70$41.61$102.14$345.51$1,189.12