Adamantane-1-carboxamidine hydrochloride

C₁₁H₁₉ClN₂CAS 50417-14-6214.74 g/mol

Open in Covalent MOL file

Amidine

Properties

Molecular formula: C₁₁H₁₉ClN₂
Molar mass: 214.74 g/mol
Exact mass: 214.1237 Da
logP: 2.56Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50417-14-6

SMILES

C1C2CC3CC1CC(C2)(C3)C(=N)N.Cl

InChIKey

OJNFQKIOKKMCIM-UHFFFAOYSA-N

InChI

InChI=1S/C11H18N2.ClH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H3,12,13);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Adamantane-1-carboxamidine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tricyclo[3.3.1.13,7]decane-1-carboxamide5511-18-243 % similar Amantadine hydrochloride665-66-743 % similar 2,2-Dimethylpropionamidine hydrochloride18202-73-841 % similar 2,2'-Azobis(2-methylpropanimidamide) dihydrochloride2997-92-438 % similar Rimantadine hydrochloride1501-84-436 % similar 1-Acetyladamantane1660-04-434 % similar 1-Adamantanecarbonyl chloride2094-72-634 % similar 1-Adamantanecarboxylic acid828-51-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Diethyltoluene-2,5-diamine hydrochloride2051-79-8

Elsewhere

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