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16486-74-1 | 1-Butanamine, N-(1,1-dimethylethyl)-
CAS No: 16486-74-1 Catalog No: AG001V44 MDL No:
Product Description
Catalog Number:
AG001V44
Chemical Name:
1-Butanamine, N-(1,1-dimethylethyl)-
CAS Number:
16486-74-1
Molecular Formula:
C8H19N
Molecular Weight:
129.2432
IUPAC Name:
N-tert-butylbutan-1-amine
InChI:
InChI=1S/C8H19N/c1-5-6-7-9-8(2,3)4/h9H,5-7H2,1-4H3
InChI Key:
VACPZDQXUAOTFR-UHFFFAOYSA-N
SMILES:
CCCCNC(C)(C)C
EC Number:
240-543-2
Properties
Complexity:
61.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.152g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.247g/mol
Monoisotopic Mass:
129.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Formation of para-quinomethanes via 4-aminobutylcatechol oxidation and ortho-quinone tautomerism. | Organic & biomolecular chemistry 20030907 |
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