Home Other Building Blocks 3-(adamantan-1-yl)-1-ethylguanidine

3-(adamantan-1-yl)-1-ethylguanidine

CAS No.:
803619-71-8
Catalog Number:
AG01DWOD
Molecular Formula:
C13H23N3
Molecular Weight:
221.3418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWOD
Chemical Name:
3-(adamantan-1-yl)-1-ethylguanidine
CAS Number:
803619-71-8
Molecular Formula:
C13H23N3
Molecular Weight:
221.3418
MDL Number:
MFCD16753275
IUPAC Name:
1-(1-adamantyl)-2-ethylguanidine
InChI:
InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)
InChI Key:
VGBFQSVFIIHEDN-UHFFFAOYSA-N
SMILES:
CCNC(=N)NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.189g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.348g/mol
Monoisotopic Mass:
221.189g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and antiviral properties of 1-adamantylguanidine. A modified method for preparing t-alkylguanidines. Journal of medicinal chemistry 19690701
Properties