3,5-Dimethyladamantane-1-carboxylic acid - CAS 14670-94-1

Name: 3,5-Dimethyladamantane-1-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010117
Product Name:	3,5-Dimethyladamantane-1-carboxylic acid
CAS:	14670-94-1
Synonyms:	3,5-dimethyladamantane-1-carboxylic acid

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Computed Properties

IUPAC Name:	3,5-dimethyladamantane-1-carboxylic acid
Description:	3,5-Dimethyladamantane-1-carboxylic acid (CAS# 14670-94-1) is a useful research chemical.
Molecular Weight:	208.30
Molecular Formula:	C13H20O2
Canonical SMILES:	CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C
InChI:	InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChI Key:	BSWOQWGHXZTDOO-UHFFFAOYSA-N
Boiling Point:	324.1 °C at 760 mmHg
Density:	1.183 g/cm³
Appearance:	White to light yellow crystal powde
MDL:	MFCD00188067
LogP:	3.06760

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112390751-A	Toll-like receptor-7 small molecule inhibitor and preparation method thereof	20201105
WO-2021018857-A1	3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents	20190729
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
US-2020017514-A1	Adamantane derivatives for the treatment of filovirus infection	20180712
AU-2018372938-A1	Aminoadamantyl nitrate compounds and their use to treat CNS disorders	20171122

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.146329876
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.146329876
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2