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51781-21-6

51781-21-6 | 5-[3-(tert-butylamino)-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

CAS No: 51781-21-6 Catalog No: AG00I993 MDL No:

Product Description

Catalog Number:
AG00I993
Chemical Name:
5-[3-(tert-butylamino)-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CAS Number:
51781-21-6
Molecular Formula:
C16H25ClN2O3
Molecular Weight:
328.8343
IUPAC Name:
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
InChI:
InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H
InChI Key:
FYBXRCFPOTXTJF-UHFFFAOYSA-N
SMILES:
OC(COc1cccc2c1CCC(=O)N2)CNC(C)(C)C.Cl
EC Number:
257-415-7

Properties

Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.155g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
328.837g/mol
Monoisotopic Mass:
328.155g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Literature

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