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247072-33-9 | 1-Hexanamine, N-(2-methylpentyl)-
CAS No: 247072-33-9 Catalog No: AG002P3M MDL No:
Product Description
Catalog Number:
AG002P3M
Chemical Name:
1-Hexanamine, N-(2-methylpentyl)-
CAS Number:
247072-33-9
Molecular Formula:
C12H27N
Molecular Weight:
185.3495
IUPAC Name:
N-(2-methylpentyl)hexan-1-amine
InChI:
InChI=1S/C12H27N/c1-4-6-7-8-10-13-11-12(3)9-5-2/h12-13H,4-11H2,1-3H3
InChI Key:
CDQUJYCZBOSKHG-UHFFFAOYSA-N
SMILES:
CCCCCCNCC(CCC)C
Properties
Complexity:
91.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.214g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.355g/mol
Monoisotopic Mass:
185.214g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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