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100849-37-4 | Benzenamine-1,2,3,4,5,6-13C6
CAS No: 100849-37-4 Catalog No: AG00030P MDL No:
Product Description
Catalog Number:
AG00030P
Chemical Name:
Benzenamine-1,2,3,4,5,6-13C6
CAS Number:
100849-37-4
Molecular Formula:
C6H7N
Molecular Weight:
99.0824
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
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
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