Home Halogens [(2-bromo-4-methylphenyl)methyl](oxolan-2-ylmethyl)amine

[(2-bromo-4-methylphenyl)methyl](oxolan-2-ylmethyl)amine

CAS No.:
1549084-74-3
Catalog Number:
AG01B7RR
Molecular Formula:
C13H18BrNO
Molecular Weight:
284.1921
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Product Description
Catalog Number:
AG01B7RR
Chemical Name:
[(2-bromo-4-methylphenyl)methyl](oxolan-2-ylmethyl)amine
CAS Number:
1549084-74-3
Molecular Formula:
C13H18BrNO
Molecular Weight:
284.1921
MDL Number:
MFCD24229502
IUPAC Name:
N-[(2-bromo-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
InChI:
InChI=1S/C13H18BrNO/c1-10-4-5-11(13(14)7-10)8-15-9-12-3-2-6-16-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChI Key:
IZYAYNHASGGCAC-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)CNCC1CCCO1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.197g/mol
Monoisotopic Mass:
283.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties