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147240-99-1 | 1-Pyrrolidineethanamine, N-[2-(4-iodophenyl)ethyl]-N-methyl-, hydrobromide (1:2)
CAS No: 147240-99-1 Catalog No: AG001ER0 MDL No:
Product Description
Catalog Number:
AG001ER0
Chemical Name:
1-Pyrrolidineethanamine, N-[2-(4-iodophenyl)ethyl]-N-methyl-, hydrobromide (1:2)
CAS Number:
147240-99-1
Molecular Formula:
C15H25Br2IN2
Molecular Weight:
520.0849
IUPAC Name:
2-(4-iodophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
InChI:
InChI=1S/C15H23IN2/c1-17(12-13-18-9-2-3-10-18)11-8-14-4-6-15(16)7-5-14/h4-7H,2-3,8-13H2,1H3
InChI Key:
FHHSUJBNYZMYEI-UHFFFAOYSA-N
SMILES:
CN(CCN1CCCC1)CCc1ccc(cc1)I.Br.Br
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.267g/mol
Monoisotopic Mass:
358.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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