CAS 13900-12-4 | Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?) | CAS Number 13900-12-4

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Amines > 13900-12-4

13900-12-4 | Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

CAS No: 13900-12-4 Catalog No: AG001A0C MDL No:

Product Description

Catalog Number:

AG001A0C

Chemical Name:

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

CAS Number:

13900-12-4

Molecular Formula:

C22H33NO9

Molecular Weight:

455.4987

IUPAC Name:

2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid

InChI:

InChI=1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChI Key:

VVNURWKSPYZZCI-UHFFFAOYSA-N

SMILES:

OC(=O)CC(C(=O)O)(CC(=O)O)O.CCC(c1ccccc1)C(=O)OCCN(CC)CC

EC Number:

237-671-6

NSC Number:

11781

Properties

Complexity:

473

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

455.216g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

455.504g/mol

Monoisotopic Mass:

455.216g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

162A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501