Home Other Building Blocks (αS)-4-Bromo-N,α-dimethylbenzenemethanamine

(αS)-4-Bromo-N,α-dimethylbenzenemethanamine

CAS No.:
1213157-35-7
Catalog Number:
AG01DU5R
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
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Product Description
Catalog Number:
AG01DU5R
Chemical Name:
(αS)-4-Bromo-N,α-dimethylbenzenemethanamine
CAS Number:
1213157-35-7
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD09826625
IUPAC Name:
1-(4-bromophenyl)-N-methylethanamine
InChI:
InChI=1S/C9H12BrN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChI Key:
TVQBCTRZCIYCJB-UHFFFAOYSA-N
SMILES:
CN[C@H](c1ccc(cc1)Br)C
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties