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Cyclohexanemethylamine

CAS No.:
3218-02-8
Catalog Number:
AG003BZE
Molecular Formula:
C7H15N
Molecular Weight:
113.2007
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Product Description
Catalog Number:
AG003BZE
Chemical Name:
Cyclohexanemethylamine
CAS Number:
3218-02-8
Molecular Formula:
C7H15N
Molecular Weight:
113.2007
MDL Number:
MFCD00001520
IUPAC Name:
cyclohexylmethanamine
InChI:
InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
InChI Key:
AVKNGPAMCBSNSO-UHFFFAOYSA-N
SMILES:
NCC1CCCCC1
EC Number:
221-741-8
NSC Number:
172991
Properties
Complexity:
55.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.12g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.204g/mol
Monoisotopic Mass:
113.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
3-benzylamino-β-carboline derivatives induce apoptosis through G2/M arrest in human carcinoma cells HeLa S-3. European journal of medicinal chemistry 20110201
A comparison of different doses of gabapentin to attenuate the haemodynamic response to laryngoscopy and tracheal intubation in normotensive patients. Journal of anaesthesiology, clinical pharmacology 20110101
Homogeneous dehydrogenation of liquid organic hydrogen carriers catalyzed by an iridium PCP complex. Faraday discussions 20110101
Hybrid polypeptides: gabapentin as a stereochemically constrained γ-amino acid residue. Biopolymers 20100101
Mechanism of host-guest complexation by cucurbituril. Journal of the American Chemical Society 20040512
Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. Journal of medicinal chemistry 20020606
Properties