1-Naphthalenemethanamine,N-[(2E)-6,6-dimethyl-2-hepten-4-ynyl]-N-methyl-


Chemical Name: 1-Naphthalenemethanamine,N-[(2E)-6,6-dimethyl-2-hepten-4-ynyl]-N-methyl-
CAS Number: 91161-71-6
Product Number: AG0039UM(AGN-PC-0VRSNA)
Synonyms:
MDL No: MFCD00242672
Molecular Formula: C21H25N
Molecular Weight: 291.4299

Identification/Properties


Computed Properties
Molecular Weight:
291.438g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
291.199g/mol
Monoisotopic Mass:
291.199g/mol
Topological Polar Surface Area:
3.2A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
428
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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