200,000+ products from a single source!
sales@angenechem.com
100310-87-0 | Ethanamine, 2-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS No: 100310-87-0 Catalog No: AG0001M2 MDL No:
Product Description
Catalog Number:
AG0001M2
Chemical Name:
Ethanamine, 2-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS Number:
100310-87-0
Molecular Formula:
C23H35NO10
Molecular Weight:
485.5247
IUPAC Name:
2-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C17H27NO3.C6H8O7/c1-5-18(6-2)10-12-19-11-9-17(4)20-15-8-7-14(3)13-16(15)21-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,13H,5-6,9-12H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
GBNFGVVOZAZQAJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(CCOCCC1(C)Oc2c(O1)ccc(c2)C)CC
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.226g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
485.53g/mol
Monoisotopic Mass:
485.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.