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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

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1141669-47-7]
2-Amino-4-(1-imidazolyl)benzoic Acid

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1256633-32-5]
4,5-Isoxazoledicarbonitrile
[342385-53-9]
Cystamine sulfate hydrate

Oxygen Compounds

[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
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[438221-54-6]
5-[(3-Bromophenoxy)methyl]furan-2-carbaldehyde

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

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