Home Halogens (2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

(2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

CAS No.:
14976-57-9
Catalog Number:
AG00HXQN
Molecular Formula:
C25H30ClNO5
Molecular Weight:
459.9624
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$125
- +
1g
96%
In Stock USA
United States
$313
- +
5g
96%
In Stock USA
United States
$938
- +
10g
96%
In Stock USA
United States
$1563
- +
Product Description
Catalog Number:
AG00HXQN
Chemical Name:
(2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
CAS Number:
14976-57-9
Molecular Formula:
C25H30ClNO5
Molecular Weight:
459.9624
MDL Number:
MFCD00137486
IUPAC Name:
(E)-but-2-enedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
InChI:
InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1
InChI Key:
PMGQWSIVQFOFOQ-YKVZVUFRSA-N
SMILES:
Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C.OC(=O)/C=C/C(=O)O
EC Number:
239-055-2
UNII:
19259EGQ3D
NSC Number:
756685
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
459.181g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
459.967g/mol
Monoisotopic Mass:
459.181g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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