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[3-(5-Methyl-tetrazol-2-yl)-adamantan-1-yl]-acetic acid

[3-(5-Methyl-tetrazol-2-yl)-adamantan-1-yl]-acetic acid - CAS 438218-34-9

Catalog:	BB045217
Product Name:	[3-(5-Methyl-tetrazol-2-yl)-adamantan-1-yl]-acetic acid
CAS:	438218-34-9
Synonyms:	2-[5-(5-methyl-1,2,3,4-tetraazol-2-yl)adamantanyl]acetic acid

Technical Data

Computed Properties

IUPAC Name:	2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetic acid
Description:	[3-(5-Methyl-tetrazol-2-yl)-adamantan-1-yl]-acetic acid (CAS# 438218-34-9 ) is a useful research chemical.
Molecular Weight:	276.33
Molecular Formula:	C14H20N4O2
Canonical SMILES:	CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)O
InChI:	InChI=1S/C14H20N4O2/c1-9-15-17-18(16-9)14-5-10-2-11(6-14)4-13(3-10,8-14)7-12(19)20/h10-11H,2-8H2,1H3,(H,19,20)
InChI Key:	CWCSWNJTYZOFSA-UHFFFAOYSA-N
Boiling Point:	485.2±37.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

Triazole/Tetrazole

[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[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
[1798723-20-2]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid
[1798731-93-7]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)propanoic acid
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid

Complexity:	427
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.15862589
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.15862589
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.9
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5