Tricyclo(3.3.1.13,7)decane-2-ethanamine
Basic information
- CAS
59807-53-3- Standard SMILES
NCCC1C2CC3CC(C2)CC1C3- InChIKey
QQIDWRBNXQXUMI-UHFFFAOYSA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Overview
See also: 2-(Adamantan-2-yl)ethan-1-amine hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.13,7)decane-2-ethanamine
- IUPAC
- 2-(2-adamantyl)ethanamine
- English name
- 2-Adamantanylethylamine
- Molecular formula
- C12H21N
- Molecular weight
- 179.3
Names & synonyms
59807-53-3RefChem:1100368Tricyclo(3.3.1.13,7)decane-2-ethanamine2-(Adamantan-2-yl)ethanamine2-(2-Adamantyl)ethanamine2-(ADAMANTAN-2-YL)ETHAN-1-AMINE2-adamantanylethylamine2-(2-Adamantyl)ethylamine59807-55-5NSC2824672-(adamant-2-yl)ethylamine2-(2-adamantyl)ethanamine hydrochloride
Show more names
AKOS BC-11532-(2-Aminoethyl)adamantaneTricyclo[3.3.1.1(3,7)]decane-2-ethanamine
2-adamantan-2-ylethylamine2-Adamantyl-2-ethylamine2-(2-Adamantanyl)ethylamine hydrochloride2-(tricyclo[3.3.1.1~3,7~]dec-2-yl)ethanamine2-Adamantil-2-etilammina [Italian]2-Adamantil-2-etilamminaBRN 2827845Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanamine
Database identifiers
- CAS
59807-53-3、59807-55-5- PubChem CID
- 64411
- DTXSID
DTXSID30975212- Nikkaji
- J2.755.651E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 248.5 · 248.5±8.0℃ (760 Torr)
- Density
- 0.992 · 0.992±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 99.7 · 99.7±13.3℃
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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