CAS 80110-35-6 Methyl 3-aminoadamantane-1-carboxylate hydrochloride (HCID 2852886)

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Basic information

CAS: 80110-35-6
Standard SMILES: COC(=O)C12CC3CC(CC(N)(C3)C1)C2.Cl
InChIKey: GMXYKQPNBFHSEJ-UHFFFAOYSA-N
Molecular formula: C12H20ClNO2
Average molar mass: 245.74 g/mol

Names & identifiers

Preferred name: Methyl 3-aminoadamantane-1-carboxylate hydrochloride
IUPAC: methyl 3-aminoadamantane-1-carboxylate;hydrochloride
English name: Methyl 3-aminoadamantane-1-carboxylate hydrochloride
Molecular formula: C12H19NO2.ClH
Molecular weight: 245.75

Names & synonyms

Methyl 3-aminoadamantane-1-carboxylate Hydrochloride80110-35-6RefChem:815245828-848-4methyl 3-aminoadamantane-1-carboxylate;hydrochlorideMFCD018265913-Aminoadamantane-1-carboxylic acid methyl ester hydrochlorideSCHEMBL1578926CHEMBL3343845GMXYKQPNBFHSEJ-UHFFFAOYSA-NAKOS026676817SY308007

Show more names

3-Amino-1-adamantanecarboxylicacidmethylester hydrochloridemethyl (1r,3s,5R,7S)-3-aminoadamantane-1-carboxylate hydrochloride

Methyl 3-Aminoadamantane-1-carboxylate HClVU0024117-2EN300-297419F98215F494456Methyl3-aminoadamantane-1-carboxylateHydrochlorideSR-01000213434methyl 3-amino-1-adamantanecarboxylate hydrochloride

Database identifiers

CAS: 80110-35-6
PubChem CID: 2852886
ChEMBL: CHEMBL3343845
EC Number: 828-848-4

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 299

Physicochemical properties

storage temp.: 0 · Store at 0-8 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303-H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P312-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 5 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H303-H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P312-P264-P280-P302+P352-P321-P332+P313-P362