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1258545-29-7 | Carbamic acid, N,N-dimethyl-, (3S)-3-amino-3,4-dihydro-2-oxo-1(2H)-quinolinyl ester, hydrochloride (1:1)
CAS No: 1258545-29-7 Catalog No: AG000OU7 MDL No:MFCD22419399
Product Description
Catalog Number:
AG000OU7
Chemical Name:
Carbamic acid, N,N-dimethyl-, (3S)-3-amino-3,4-dihydro-2-oxo-1(2H)-quinolinyl ester, hydrochloride (1:1)
CAS Number:
1258545-29-7
Molecular Formula:
C12H16ClN3O3
Molecular Weight:
285.7267
MDL Number:
MFCD22419399
IUPAC Name:
(3-amino-2-oxo-3,4-dihydroquinolin-1-yl) N,N-dimethylcarbamate;hydrochloride
InChI:
InChI=1S/C12H15N3O3.ClH/c1-14(2)12(17)18-15-10-6-4-3-5-8(10)7-9(13)11(15)16;/h3-6,9H,7,13H2,1-2H3;1H
InChI Key:
OJKLCKNLFNSZMT-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)ON1C(=O)[C@@H](N)Cc2c1cccc2.Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.728g/mol
Monoisotopic Mass:
285.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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