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13329-71-0 | 1-Octadecanamine, N-(1-methylethyl)-
CAS No: 13329-71-0 Catalog No: AG0014K4 MDL No:
Product Description
Catalog Number:
AG0014K4
Chemical Name:
1-Octadecanamine, N-(1-methylethyl)-
CAS Number:
13329-71-0
Molecular Formula:
C21H45N
Molecular Weight:
311.5887
IUPAC Name:
N-propan-2-yloctadecan-1-amine
InChI:
InChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21-22H,4-20H2,1-3H3
InChI Key:
WHFZOMWNDCWQRF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(C)C
EC Number:
236-378-0
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.355g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.598g/mol
Monoisotopic Mass:
311.355g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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