Home Halogens Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-

Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-

CAS No.:
1333210-07-3
Catalog Number:
AG009CF7
Molecular Formula:
C21H22ClN3O
Molecular Weight:
367.8719
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$523
- +
10mg
99%
1 week
United States
$640
- +
50mg
99%
1 week
United States
$1140
- +
100mg
99%
1 week
United States
$1390
- +
Product Description
Catalog Number:
AG009CF7
Chemical Name:
Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-
CAS Number:
1333210-07-3
Molecular Formula:
C21H22ClN3O
Molecular Weight:
367.8719
MDL Number:
MFCD27992059
IUPAC Name:
4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile
InChI:
InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
InChI Key:
RLKRLNQEXBPQGQ-OZOXKJRCSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N
Properties
Complexity:
535  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
367.145g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
367.877g/mol
Monoisotopic Mass:
367.145g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties