CAS
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Specification
The molecular formula is C7H17N.
The molecular weight is 115.22 g/mol.
The IUPAC name is heptan-4-amine.
The InChI is InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3.
The InChIKey is CLJMMQGDJNYDER-UHFFFAOYSA-N.
The canonical SMILES is CCCC(CCC)N.
The CAS number is 16751-59-0.
The EC Number is 240-814-5.
The DSSTox Substance ID is DTXSID5066116.
Yes, 1-Propylbutylamine is canonicalized.