Basic information
- CAS
887336-06-3- Standard SMILES
C[C@H](N)C12CC3CC(CC(C3)C1)C2- InChIKey
UBCHPRBFMUDMNC-JKJWBTBISA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Names & identifiers
- Preferred name
- (alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
- IUPAC
- (1S)-1-(1-adamantyl)ethanamine
- English name
- (1S)-1-(Adamantan-1-yl)ethan-1-amine
- Molecular formula
- C12H21N
- Molecular weight
- 179.3
Names & synonyms
887336-06-3(alphaS)-alpha-Methyltricyclo(3.3.1.13,7)decane-1-methanamine(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamineRefChem:210096(1S)-1-(adamantan-1-yl)ethan-1-amine(1S)-1-(1-adamantyl)ethanamine(S)-1-(Adamantan-1-yl)ethan-1-amineCHEMBL3392935(1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine(S)-RimantadineEU7S-RIMANTADINE
Show more names
Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl-, (αS)-
SCHEMBL29908943DTXSID5012137481-(Adamantan-1-yl)ethan-1-amine--hydrogen chloride (1/1)BDBM50465106EBC-46055AKOS011390780CS-0101236EN300-89226
Database identifiers
- CAS
887336-06-3- PubChem CID
- 7048784
- DTXSID
DTXSID501213748- ChEMBL
CHEMBL3392935
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 247.8 · 247.8±8.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 11.17 · 11.17±0.29(Predicted)
- 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
Chemistry & industry
Suppliers4 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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