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77160-82-8 | 1-Pentanol, 5-[(1-phenylcyclohexyl)amino]-
CAS No: 77160-82-8 Catalog No: AG005DF1 MDL No:
Product Description
Catalog Number:
AG005DF1
Chemical Name:
1-Pentanol, 5-[(1-phenylcyclohexyl)amino]-
CAS Number:
77160-82-8
Molecular Formula:
C17H27NO
Molecular Weight:
261.4024
IUPAC Name:
5-[(1-phenylcyclohexyl)amino]pentan-1-ol
InChI:
InChI=1S/C17H27NO/c19-15-9-3-8-14-18-17(12-6-2-7-13-17)16-10-4-1-5-11-16/h1,4-5,10-11,18-19H,2-3,6-9,12-15H2
InChI Key:
VFKGLWMQUBPXGJ-UHFFFAOYSA-N
SMILES:
OCCCCCNC1(CCCCC1)c1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.409g/mol
Monoisotopic Mass:
261.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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