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3-Aminoadamantane-1-carboxylic Acid Hydrochloride

3-Aminoadamantane-1-carboxylic Acid Hydrochloride - CAS 6240-01-3

Catalog:	BB031576
Product Name:	3-Aminoadamantane-1-carboxylic Acid Hydrochloride
CAS:	6240-01-3
Synonyms:	3-amino-1-adamantanecarboxylic acid;hydrochloride; 3-aminoadamantane-1-carboxylic acid;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-aminoadamantane-1-carboxylic acid;hydrochloride
Description:	3-Aminoadamantane-1-carboxylic Acid Hydrochloride (CAS# 6240-01-3) is a useful research chemical.
Molecular Weight:	231.72
Molecular Formula:	C11H18ClNO2
Canonical SMILES:	C1C2CC3(CC1CC(C2)(C3)N)C(=O)O.Cl
InChI:	InChI=1S/C11H17NO2.ClH/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14;/h7-8H,1-6,12H2,(H,13,14);1H
InChI Key:	CMUAQGBJDDHTPE-UHFFFAOYSA-N
LogP:	2.87100

Publication Number	Title	Priority Date
CN-101747221-A	Method for preparing amino adamantane carboxylic acid compounds	20091222
WO-2011087758-A1	Adamantyl amide derivatives and uses of same	20091222
AU-2009274194-A1	Adamantyl diamide derivatives and uses of same	20080725
AU-2009274194-B2	Adamantyl diamide derivatives and uses of same	20080725
EA-019546-B1	ADAMANTANE DIAMID DERIVATIVES CONTAINING THEIR PHARMACEUTICAL COMPOSITION AND THEIR APPLICATION	20080725

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.1026065
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	231.1026065
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0