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1255306-36-5 | Benzenemethanamine, 4-chloro-α,3-dimethyl-, hydrochloride (1:1), (αR)-
CAS No: 1255306-36-5 Catalog No: AG000NSY MDL No:MFCD16294241
Product Description
Catalog Number:
AG000NSY
Chemical Name:
Benzenemethanamine, 4-chloro-α,3-dimethyl-, hydrochloride (1:1), (αR)-
CAS Number:
1255306-36-5
Molecular Formula:
C9H13Cl2N
Molecular Weight:
206.1122
MDL Number:
MFCD16294241
IUPAC Name:
(1R)-1-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H12ClN.ClH/c1-6-5-8(7(2)11)3-4-9(6)10;/h3-5,7H,11H2,1-2H3;1H/t7-;/m1./s1
InChI Key:
RMJLPGIVLDGISK-OGFXRTJISA-N
SMILES:
C[C@H](c1ccc(c(c1)C)Cl)N.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.11g/mol
Monoisotopic Mass:
205.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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