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86-22-6

86-22-6 | Brompheniramine

CAS No: 86-22-6 Catalog No: AG004NGX MDL No:

Product Description

Catalog Number:
AG004NGX
Chemical Name:
Brompheniramine
CAS Number:
86-22-6
Molecular Formula:
C16H19BrN2
Molecular Weight:
319.2395
IUPAC Name:
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
InChI:
InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChI Key:
ZDIGNSYAACHWNL-UHFFFAOYSA-N
SMILES:
CN(CCC(c1ccccn1)c1ccc(cc1)Br)C
EC Number:
201-657-8

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.073g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.246g/mol
Monoisotopic Mass:
318.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

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