Home Halogens Benzenemethanamine, 4-bromo-N,α-dimethyl-, hydrochloride (1:1), (αS)-

Benzenemethanamine, 4-bromo-N,α-dimethyl-, hydrochloride (1:1), (αS)-

CAS No.:
1810074-73-7
Catalog Number:
AG0022LS
Molecular Formula:
C9H13BrClN
Molecular Weight:
250.5632
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Product Description
Catalog Number:
AG0022LS
Chemical Name:
Benzenemethanamine, 4-bromo-N,α-dimethyl-, hydrochloride (1:1), (αS)-
CAS Number:
1810074-73-7
Molecular Formula:
C9H13BrClN
Molecular Weight:
250.5632
MDL Number:
MFCD28977502
IUPAC Name:
(1S)-1-(4-bromophenyl)-N-methylethanamine;hydrochloride
InChI:
InChI=1S/C9H12BrN.ClH/c1-7(11-2)8-3-5-9(10)6-4-8;/h3-7,11H,1-2H3;1H/t7-;/m0./s1
InChI Key:
VAXYPWCMBWZLQT-FJXQXJEOSA-N
SMILES:
CN[C@H](c1ccc(cc1)Br)C.Cl
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
248.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.564g/mol
Monoisotopic Mass:
248.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties