2-Aminoadamantane hydrochloride
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Basic information
- CAS
10523-68-9- Standard SMILES
Cl.NC1C2CC3CC(C2)CC1C3- InChIKey
WLDWDRZITJEWRJ-UHFFFAOYSA-N- Molecular formula
- C10H18ClN
- Average molar mass
- 187.71 g/mol
- Monoisotopic mass
- 187.11277726
Names & identifiers
- Preferred name
- 2-Aminoadamantane hydrochloride
- IUPAC
- adamantan-2-amine;hydrochloride
- English name
- 2-Adamantanamine hydrochloride
- Molecular formula
- C10H17N.ClH
- Molecular weight
- 187.71
Names & synonyms
2-Aminoadamantane hydrochlorideRefChem:8501710523-68-9adamantan-2-amine hydrochloride2-Adamantanamine hydrochloride2-Adamantylamine hydrochlorideadamantan-2-amine;hydrochloride2-Adamantanamine HClMFCD000747432-ADAMANTANAMINE, HYDROCHLORIDEAdamantan-2-ylamine hydrochloride2-adamantan amine HCl
Show more names
2-AdamantylamineHClIFLAB-BB F1928-00242-AMINOADAMANTANEHCL2-admantylamine hydrochloride2-Adamantanamin hydrochloride2-ADAMANTANAMINE HYROCHLORIDE
Adamantan-2-amine HClAKOS000104803AKOS017343998SY011241A0718(1r,3r,5r,7r)-adamantan-2-amine hydrochlorideEINECS 234-074-22-Adamantylam
Database identifiers
- CAS
10523-68-9- PubChem CID
- 25331
- DTXSID
DTXSID60147021- ChEMBL
CHEMBL447911- EC Number
- 234-074-2
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Crystalline Powder
- color
- White
- Water Solubility
- soluble
- BRN
- 4297901 · 4297901
- InChI
- InChI=1/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H/t6-,7+,8-,9+,10;
- InChIKey
- WLDWDRZITJEWRJ-ZDAMNCSYNA-N
- SMILES
- C1(N)[C@@]2([H])C[C@]3([H])C[C@]([H])(C2)C[C@@]1([H])C3.Cl |&1:2,5,8,12,r|
- CAS DataBase Reference
- 10523 · 10523-68-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- AU4375100
- hs_code
- 29213000
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-22
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses2-Adamantanamine Hydrochloride can be used to prepare CD73 inhibitors to treat CD73-associated diseases, including cancer and immune-related disorders.
Uses2-Adamantylamine hydrochloride was used to prepare 2-adamantylamide of 2-(carboxymethoxime)-olivomycin I. The HPLC assay of 2-adamantylamine hydrochloride after pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole has been studied. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
General DescriptionThe HPLC assay of 2-adamantylamine hydrochloride after pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole has been studied.
Upstream & downstream products
Downstream products
Related reactions
60 records
Compound notes
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