CAS 15647-11-7 | Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl- | CAS Number 15647-11-7

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15647-11-7 | Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl-

CAS No: 15647-11-7 Catalog No: AG001OQP MDL No:

Product Description

Catalog Number:

AG001OQP

Chemical Name:

Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl-

CAS Number:

15647-11-7

Molecular Formula:

C10H21NO

Molecular Weight:

171.2798

IUPAC Name:

3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol

InChI:

InChI=1S/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3

InChI Key:

YFEAYNIMJBHJCM-UHFFFAOYSA-N

SMILES:

NCC1(C)CC(O)CC(C1)(C)C

EC Number:

239-717-0

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.284g/mol

Monoisotopic Mass:

171.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
ETM-ANN approach application for thiobenzamide and quinolizidine derivatives.	Journal of biomedicine & biotechnology 20100101
Structure-activity relationships for a series of thiobenzamide influenza fusion inhibitors derived from 1,3,3-trimethyl-5-hydroxy-cyclohexylmethylamine.	Bioorganic & medicinal chemistry letters 20021202
An approach to the identification of potent inhibitors of influenza virus fusion using parallel synthesis methodology.	Bioorganic & medicinal chemistry letters 20010903