Basic information
- CAS
42194-25-2- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(N)(C2)C3- InChIKey
XOEUSMBMGXZZJL-UHFFFAOYSA-N- Molecular formula
- C13H23N
- Average molar mass
- 193.33 g/mol
- Monoisotopic mass
- 193.18304974
Names & identifiers
- Preferred name
- 3,5,7-Trimethyl-1-adamantylamine
- IUPAC
- 3,5,7-trimethyladamantan-1-amine
- English name
- AKOS BB-9729
- Molecular formula
- C13H23N
- Molecular weight
- 193.33
Names & synonyms
42194-25-23,5,7-Trimethyl-1-adamantylamineD 191DTXSID20195023Tricyclo(3.3.1.13,7)decan-1-amine, 3,5,7-trimethyl-Tricyclo[3.3.1.13,7]decan-1-amine, 3,5,7-trimethyl-RefChem:271407DTXCID301175143,5,7-trimethyladamantan-1-amine1-Amino-3,5,7-trimethyladamantane(3,5,7-trimethyl-1-adamantyl)amine3,5,7-Trimethyl-adamantan-1-ylamine
Show more names
CHEMBRDG-BB 4013900
BTM2NEH4HV(3,5,7-trimethyl-1-adamantyl)amine hydrochlorideMFCD01838784AKOS BB-97293,5,7-trimethyl-1-adamantanamine3,5,7-Trimethyladamantan-1-amine--hydrogen chloride (1/1)Adamantane Impurity 14UNII-BTM2NEH4HV
Database identifiers
- CAS
42194-25-2- PubChem CID
- 181729
- DTXSID
DTXSID20195023- ChEMBL
CHEMBL152130- UNII
- BTM2NEH4HV
- Nikkaji
- J1.606.580C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LogP4.01
Physicochemical properties
- Boiling point
- 248 · 248.0±8.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.81 · 10.81±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- FDA UNII
- 2 NEH4HV · BTM2NEH4HV
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
Syntechem Co.,Ltd[email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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