1-Phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-amine
Basic information
- CAS
147084-69-3- Standard SMILES
NC1C2CN3CCN(C2)CC1(c1ccccc1)C3- InChIKey
ABIXKBMKJXACGJ-UHFFFAOYSA-N- Molecular formula
- C15H21N3
- Average molar mass
- 243.35 g/mol
Names & identifiers
- Preferred name
- 1-Phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-amine
- IUPAC
- 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
- English name
- 1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-amine
- Molecular formula
- C15H21N3
- Molecular weight
- 243.35
Names & synonyms
147084-69-31-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-amine1-Phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amineMFCD005705451-Phenyl-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-amineOprea1_452495Oprea1_598914MLS000710240CHEMBL1885888ABIXKBMKJXACGJ-UHFFFAOYSA-NHMS2744M14STL362876
Show more names
3,6-Diazatricyclo[4.3.1.13,8]undecan-9-amine, 1-phenyl-
AKOS000538807AKOS022133168BS-40836SMR0002790539-Amino-1-phenyl-3,6-diazahomoadamantaneF4768281-phenyl-3,6-diazatricyclo[4.3.1.1?,?]undecan-9-amine
Database identifiers
- CAS
147084-69-3- ChEMBL
CHEMBL1885888
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility>36.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- 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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Compound notes
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