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147352-77-0 | Benzenemethanamine, α-[(2,3,3-trimethyl-1-cyclopenten-1-yl)methyl]-
CAS No: 147352-77-0 Catalog No: AG001EUJ MDL No:
Product Description
Catalog Number:
AG001EUJ
Chemical Name:
Benzenemethanamine, α-[(2,3,3-trimethyl-1-cyclopenten-1-yl)methyl]-
CAS Number:
147352-77-0
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
1-phenyl-1-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
InChI:
InChI=1S/C16H23N/c1-12-14(10-11-15(12,2)3)16(4,17)13-8-6-5-7-9-13/h5-9H,10-11,17H2,1-4H3
InChI Key:
YHISNGTYOBISAL-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CC1=C(C)C(CC1)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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