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5-Bromogramine

CAS No.:
830-93-3
Catalog Number:
AG003D17
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$232
- +
10g
97%
In Stock USA
United States
$438
- +
25g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003D17
Chemical Name:
5-Bromogramine
CAS Number:
830-93-3
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
MDL Number:
MFCD00055980
IUPAC Name:
1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
InChI:
InChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
InChI Key:
FSERHDPEOFYMMK-UHFFFAOYSA-N
SMILES:
CN(Cc1c[nH]c2c1cc(Br)cc2)C
NSC Number:
73386
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
[(5-Bromo-1H-indol-3-yl)meth-yl]dimethyl-aza-nium nitrate. Acta crystallographica. Section E, Structure reports online 20110701
Properties