1-C-Ethylaminoadamantane
Basic information
- CAS
26482-53-1- 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
Overview
structure given in first source
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 Ų
- 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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Related reactions
12 records
Compound notes
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