5-Adamantan-1-yl-2H-tetrazole - CAS 60798-89-2

Catalog:	BB046520
Product Name:	5-Adamantan-1-yl-2H-tetrazole
CAS:	60798-89-2
Synonyms:	5-adamantanyl-2H-1,2,3,4-tetraazole; 5-(tricyclo[3.3.1.13,7]dec-1-yl)-2H-tetrazole

Technical Data

Computed Properties

IUPAC Name:	5-(1-adamantyl)-2H-tetrazole
Description:	5-Adamantan-1-yl-2H-tetrazole (CAS# 60798-89-2 ) is a useful research chemical.
Molecular Weight:	204.27
Molecular Formula:	C11H16N4
Canonical SMILES:	C1C2CC3CC1CC(C2)(C3)C4=NNN=N4
InChI:	InChI=1S/C11H16N4/c1-7-2-9-3-8(1)5-11(4-7,6-9)10-12-14-15-13-10/h7-9H,1-6H2,(H,12,13,14,15)
InChI Key:	OBWRBAQXRLLXFR-UHFFFAOYSA-N
Boiling Point:	370.5±25.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Bridged Compounds

[26749-97-3]
3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoic acid
[281-27-6]
1-Azaadamantane
[2096992-05-9]
Ethyl 2-(3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentan-1-yl)acetate
[1004944-58-4]
3-(4-Nitro-1H-pyrazol-1-yl)adamantane-1-carboxylic acid
[96534-93-9]
3-Bicyclo[2.2.1]hept-5-en-2-yl-7-oxabicyclo[4.1.0]heptane
[28401-39-0]
Frontalin

Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.137496527
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.137496527
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4