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13174-22-6 | Benzenemethanamine, N-cyclohexyl-3,4-dimethoxy-, hydrochloride (1:1)
CAS No: 13174-22-6 Catalog No: AG000ZNT MDL No:MFCD03596849
Product Description
Catalog Number:
AG000ZNT
Chemical Name:
Benzenemethanamine, N-cyclohexyl-3,4-dimethoxy-, hydrochloride (1:1)
CAS Number:
13174-22-6
Molecular Formula:
C15H24ClNO2
Molecular Weight:
285.8096
MDL Number:
MFCD03596849
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]cyclohexanamine;hydrochloride
InChI:
InChI=1S/C15H23NO2.ClH/c1-17-14-9-8-12(10-15(14)18-2)11-16-13-6-4-3-5-7-13;/h8-10,13,16H,3-7,11H2,1-2H3;1H
InChI Key:
FUSXQUAYAJCBTP-UHFFFAOYSA-N
SMILES:
COc1cc(CNC2CCCCC2)ccc1OC.Cl
NSC Number:
13078
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.15g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.812g/mol
Monoisotopic Mass:
285.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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