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149529-99-7

149529-99-7 | Benzenemethanamine, 3-chloro-N,α-dimethyl-

CAS No: 149529-99-7 Catalog No: AG001LSV MDL No:MFCD09737462

Product Description

Catalog Number:
AG001LSV
Chemical Name:
Benzenemethanamine, 3-chloro-N,α-dimethyl-
CAS Number:
149529-99-7
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
MDL Number:
MFCD09737462
IUPAC Name:
1-(3-chlorophenyl)-N-methylethanamine
InChI:
InChI=1S/C9H12ClN/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7,11H,1-2H3
InChI Key:
IYUOJXAYGDGASL-UHFFFAOYSA-N
SMILES:
CNC(c1cccc(c1)Cl)C

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.066g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.652g/mol
Monoisotopic Mass:
169.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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