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2084-80-2 | Benzeneethanamine, 4-chloro-α,α-diethyl-N-methyl-, hydrochloride (1:1)
CAS No: 2084-80-2 Catalog No: AG002JOJ MDL No:
Product Description
Catalog Number:
AG002JOJ
Chemical Name:
Benzeneethanamine, 4-chloro-α,α-diethyl-N-methyl-, hydrochloride (1:1)
CAS Number:
2084-80-2
Molecular Formula:
C13H21Cl2N
Molecular Weight:
262.2185
IUPAC Name:
3-[(4-chlorophenyl)methyl]-N-methylpentan-3-amine
InChI:
InChI=1S/C13H20ClN/c1-4-13(5-2,15-3)10-11-6-8-12(14)9-7-11/h6-9,15H,4-5,10H2,1-3H3
InChI Key:
MMMXMIRZLGRAGY-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc(cc1)Cl)(NC)CC.Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.76g/mol
Monoisotopic Mass:
225.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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