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80900-76-1 | 2-(3,4-DIMETHOXYBENZYL)CYCLOPENTYLAMINE
CAS No: 80900-76-1 Catalog No: AG005IAD MDL No:
Product Description
Catalog Number:
AG005IAD
Chemical Name:
2-(3,4-DIMETHOXYBENZYL)CYCLOPENTYLAMINE
CAS Number:
80900-76-1
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
(1R,2R)-2-[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine
InChI:
InChI=1S/C14H21NO2/c1-16-13-7-6-10(9-14(13)17-2)8-11-4-3-5-12(11)15/h6-7,9,11-12H,3-5,8,15H2,1-2H3/t11-,12-/m1/s1
InChI Key:
AUAIRWXIJLJQPD-VXGBXAGGSA-N
SMILES:
COc1cc(ccc1OC)CC1CCCC1N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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