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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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic 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
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate

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