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16751-58-9 | 3-Hexanamine
CAS No: 16751-58-9 Catalog No: AG001XFJ MDL No:MFCD00047922
Product Description
Catalog Number:
AG001XFJ
Chemical Name:
3-Hexanamine
CAS Number:
16751-58-9
Molecular Formula:
C6H15N
Molecular Weight:
101.1900
MDL Number:
MFCD00047922
IUPAC Name:
hexan-3-amine
InChI:
InChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3
InChI Key:
HQLZFBUAULNEGP-UHFFFAOYSA-N
SMILES:
CCCC(CC)N
Properties
Complexity:
35.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.12g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.193g/mol
Monoisotopic Mass:
101.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Stereodynamics of N-isopropyl-N-methylpropargylamine. Dynamic NMR studies. Molecular mechanics calculations. | The Journal of organic chemistry 20010209 |
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