Home Amines 100849-37-4
100849-37-4,MFCD00143617
Catalog No.:AA0002XX
100849-37-4 | Benzenamine-1,2,3,4,5,6-13C6
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100mg
1 week  
$947.00   $663.00
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Technical Information
Catalog Number:
AA0002XX
Chemical Name:
Benzenamine-1,2,3,4,5,6-13C6
CAS Number:
100849-37-4
Molecular Formula:
C6H7N
Molecular Weight:
99.0824
MDL Number:
MFCD00143617
IUPAC Name:
(1,2,3,4,5,6-13C6)cyclohexatrienamine
InChI:
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key:
PAYRUJLWNCNPSJ-IDEBNGHGSA-N
SMILES:
N[13c]1[13cH][13cH][13cH][13cH][13cH]1
Properties
Computed Properties
 
Complexity:
46.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.078g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  
Molecular Weight:
99.083g/mol
Monoisotopic Mass:
99.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
Aniline-13C6 
100849-37-4 
Aniline-13C6, 99 atom % 13C 
Benzenamine-1,2,3,4,5,6-13C6 
J-000234 
Benzenamine 
ANILINE 
Aniline 13C6 
CS-T-48262 
CID11286442 
ANILINE (13C6) 
Phenylamine-13C6 
Aminobenzene-13C6 
Benzeneamine-13C6 
Aniline(13c6) 
13C Labeled aniline 
CTK8F7781 
DTXSID80461130 
Literature
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