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887589-94-8 | Cycloheptanemethanamine,N-(3,4-dimethoxyphenyl)-
CAS No: 887589-94-8 Catalog No: AG004BLA MDL No:
Product Description
Catalog Number:
AG004BLA
Chemical Name:
Cycloheptanemethanamine,N-(3,4-dimethoxyphenyl)-
CAS Number:
887589-94-8
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
IUPAC Name:
N-(cycloheptylmethyl)-3,4-dimethoxyaniline
InChI:
InChI=1S/C16H25NO2/c1-18-15-10-9-14(11-16(15)19-2)17-12-13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,12H2,1-2H3
InChI Key:
QFMWXHICWUYDKV-UHFFFAOYSA-N
SMILES:
COc1cc(NCC2CCCCCC2)ccc1OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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