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89729-79-3 | Benzenamine, 4-(1,5-dioxaspiro[5.5]undec-3-yl)-3-methyl-
CAS No: 89729-79-3 Catalog No: AG0041ZJ MDL No:
Product Description
Catalog Number:
AG0041ZJ
Chemical Name:
Benzenamine, 4-(1,5-dioxaspiro[5.5]undec-3-yl)-3-methyl-
CAS Number:
89729-79-3
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
4-(1,5-dioxaspiro[5.5]undecan-3-yl)-3-methylaniline
InChI:
InChI=1S/C16H23NO2/c1-12-9-14(17)5-6-15(12)13-10-18-16(19-11-13)7-3-2-4-8-16/h5-6,9,13H,2-4,7-8,10-11,17H2,1H3
InChI Key:
VXUUTOSGQSJWAV-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)C1COC2(OC1)CCCCC2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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