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101425-93-8 | Benzenepropanamine, N-hexyl-2-methoxy-, hydrochloride (1:1)
CAS No: 101425-93-8 Catalog No: AG0004GI MDL No:
Product Description
Catalog Number:
AG0004GI
Chemical Name:
Benzenepropanamine, N-hexyl-2-methoxy-, hydrochloride (1:1)
CAS Number:
101425-93-8
Molecular Formula:
C16H28ClNO
Molecular Weight:
285.8526
IUPAC Name:
hexyl-[3-(2-methoxyphenyl)propyl]azanium;chloride
InChI:
InChI=1S/C16H27NO.ClH/c1-3-4-5-8-13-17-14-9-11-15-10-6-7-12-16(15)18-2;/h6-7,10,12,17H,3-5,8-9,11,13-14H2,1-2H3;1H
InChI Key:
HNSNQCUREJMZTB-UHFFFAOYSA-N
SMILES:
CCCCCCNCCCc1ccccc1OC.Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.186g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.856g/mol
Monoisotopic Mass:
285.186g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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