3-Aminoadamantane-1-carboxylic acid hydrochloride

HCID 365220

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6240-01-3
Standard SMILES: Cl.NC12CC3CC(C1)CC(C(=O)O)(C3)C2
InChIKey: CMUAQGBJDDHTPE-GVRPCFNPNA-N
Molecular formula: C11H18ClNO2
Average molar mass: 231.72 g/mol

Names & identifiers

Preferred name: 3-Aminoadamantane-1-carboxylic acid hydrochloride
IUPAC: 3-aminoadamantane-1-carboxylic acid;hydrochloride
English name: 1-Amino-3-adamantanecarboxylic acid hydrochloride
Molecular formula: C11H17NO2.ClH
Molecular weight: 231.72

Names & synonyms

3-aminoadamantane-1-carboxylic acid hydrochloride6240-01-3RefChem:497694830-824-33-Amino-1-adamantanecarboxylic acid hydrochlorideMFCD018258273-aminoadamantane-1-carboxylic acid;hydrochloride1-Amino-3-adamantanecarboxylic acid hydrochloride3-Amino-adamantane-1-carboxylic acid hydrochlorideSCHEMBL1578444NSC632545SR-01000400497

Show more names

IFLAB-BB F0035-02503-Amino-adamantane-1-carboxylic acid HCl3-AMino-1-CarboxyadaMantane Hydrochloride3-Amino-1-adamantanecarboxylate hydrochloride3-Amino-adamantane-1-carboxylic hydrochloride3-Aminoadamantane-1-carboxylic acid hydrochloride,95%3-Aminotricyclo[3.3.1.13,7]decane-1-carboxylic acid hydrochloride

SR-01000400497-13-Aminoadamantane-1-carboxylic acid-4-ethylbenzenesulfonic acid (1:1)(1r,3s,5R,7S)-3-aminoadamantane-1-carboxylic acid hydrochlorideF0035-02503-Aminoadamantane-1-carboxylic Acid HClCMUAQGBJDDHTricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-amino-, hydrochloride3-Aminoadamantane-1-carboxylicAcidHydrochloride

Database identifiers

CAS: 6240-01-3
PubChem CID: 365220
ChEMBL: CHEMBL1973109
EC Number: 830-824-3

Properties

Computed structural properties

Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 286

Physicochemical properties

Melting point: 300 ℃ · >300℃ (DEC.)
storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
InChI: InChI=1/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/t7-,8+,10+,11-;
InChIKey: CMUAQGBJDDHTPE-GVRPCFNPNA-N
SMILES: [C@]12(C(=O)O)C[C@@]3([H])C[C@]([H])(C[C@](N)(C3)C1)C2.Cl |&1:0,5,8,11,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.