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Reference substances

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IUPAC name:
aniline

Inventory

EC number:
200-539-3
EC name:
Aniline
CAS number:
62-53-3
CAS number:
62-53-3
Synonyms
Names:
aminobenzene
benzeneamine

Molecular and structural information

Molecular formula:
C6H7N
Molecular weight:
ca. 93.128
SMILES notation:
c1(ccccc1)N
InChl:
InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

AuxInfo=1/0/N:7,5,6,2,3,1,4/E:(2,3)(4,5)/rA:7nCCCNCCC/rB:d1;s1;s1;s2;d3;d5s6;/rC:-1.0931,0,0;-.3276,-1.331,0;-.3276,1.331,0;-2.6414,0,0;1.2034,-1.331,0;1.2034,1.331,0;1.9828,0,0;
Structural formula:
Chemical structure

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