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1263078-19-8 | Benzenepropanamide, 3,4-dihydroxy-N,N-dimethyl-α-(methylamino)-, hydrobromide (1:1), (αS)-
CAS No: 1263078-19-8 Catalog No: AG000SIR MDL No:
Product Description
Catalog Number:
AG000SIR
Chemical Name:
Benzenepropanamide, 3,4-dihydroxy-N,N-dimethyl-α-(methylamino)-, hydrobromide (1:1), (αS)-
CAS Number:
1263078-19-8
IUPAC Name:
(2S)-3-(3,4-dihydroxyphenyl)-N,N-dimethyl-2-(methylamino)propanamide;hydrobromide
InChI:
InChI=1S/C12H18N2O3.BrH/c1-13-9(12(17)14(2)3)6-8-4-5-10(15)11(16)7-8;/h4-5,7,9,13,15-16H,6H2,1-3H3;1H/t9-;/m0./s1
InChI Key:
YSMOCBZQQJAOPI-FVGYRXGTSA-N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
318.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.199g/mol
Monoisotopic Mass:
318.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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