1-C-Ethylaminoadamantane

HCID 64245CAS 26482-53-1

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Basic information

Standard SMILES: NCCC12CC3CC(CC(C3)C1)C2
InChIKey: SNJMEUDNDRSJAS-UHFFFAOYSA-N
Molecular formula: C12H21N
Average molar mass: 179.3 g/mol
Monoisotopic mass: 179.16739967

Names & identifiers

Preferred name: 1-C-Ethylaminoadamantane
IUPAC: 2-(1-adamantyl)ethanamine
English name: 1-C-ethylaminoadamantane
Molecular formula: C12H21N
Molecular weight: 179.3

Names & synonyms

26482-53-11-C-EthylaminoadamantaneD174D-174DTXSID50181075RefChem:75288DTXCID601035662-(1-adamantyl)ethanamine2-(adamantan-1-yl)ethanamine2-(ADAMANTAN-1-YL)ETHAN-1-AMINETricyclo[3.3.1.13,7]decane-1-ethanamineMFCD00233043

Show more names

Mrz 2/1741-Adamantaneethylamine2-(1-adamantyl)ethanamine(SALTDATA: FREE)Tricyclo[3.3.1.1(3,7)]decane-1-ethanamine2-((3R,5R,7R)-Adamantan-1-yl)ethan-1-amine

2-Adamantan-1-yl-ethylamine1-adamantaneethanamine1-AdamantanethylamineTricyclo(3.3.1.13,7)decane-1-ethanamine1-(2-Aminoethyl)adamantaneEnamine_005504D 1742-(1-adamantyl)ethylamine

Database identifiers

CAS: 26482-53-1
PubChem CID: 64245
DTXSID: DTXSID50181075
ChEMBL: CHEMBL341013
Nikkaji: J3.739.952C、J694.835I

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Melting point: 330 °C · >330 °C
Boiling point: 97 · 97-98℃ (2 Torr)
Density: 1.021 · 1.021±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 99.4 · 99.4±13.3℃
pka: 10.94 · 10.94±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362