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14471-17-1 | Benzenemethanamine, N-cyclopropyl-3,4,5-trimethoxy-
CAS No: 14471-17-1 Catalog No: AG001K3E MDL No:
Product Description
Catalog Number:
AG001K3E
Chemical Name:
Benzenemethanamine, N-cyclopropyl-3,4,5-trimethoxy-
CAS Number:
14471-17-1
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropanamine
InChI:
InChI=1S/C13H19NO3/c1-15-11-6-9(8-14-10-4-5-10)7-12(16-2)13(11)17-3/h6-7,10,14H,4-5,8H2,1-3H3
InChI Key:
GGASCKAPMCXICZ-UHFFFAOYSA-N
SMILES:
COc1cc(CNC2CC2)cc(c1OC)OC
NSC Number:
523291
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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