1,1'-Biadamantane-3,3'-diamine
Basic information
- CAS
18220-68-3- Standard SMILES
NC12CC3CC(C1)CC(C14CC5CC(CC(N)(C5)C1)C4)(C3)C2- InChIKey
SOKRCBPOBAYQBS-UHFFFAOYSA-N- Molecular formula
- C20H32N2
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.25654903
Names & identifiers
- Preferred name
- 1,1'-Biadamantane-3,3'-diamine
- IUPAC
- 3-(3-amino-1-adamantyl)adamantan-1-amine
- English name
- 1,1'-Biadamantane-3,3'-diamine
- Molecular formula
- C20H32N2
- Molecular weight
- 300.48
Names & synonyms
18220-68-31,1'-BIADAMANTANE-3,3'-DIAMINE1,1'-Biadamantane, 3,3'-diamino-BRN 2849734RefChem:2122333-(3-amino-1-adamantyl)adamantan-1-amine[1,1'-Bi(adamantane)]-3,3'-diamine3-(3-amino-1-adamantyl)-1-adamantanamineSCHEMBL1362423DTXSID009395433,3'-diamino-1,1'-biadamantyl[1,1'-Bitricyclo[3.3.1.1]decane]-3,3'-diamine
Show more names
[1,1'-Bitricyclo[3.3.1.13,7]decane]-1,1'-diaMine
[1,1'-Bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diaminato[1,1'-Bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diamine
Database identifiers
- CAS
18220-68-3- PubChem CID
- 28966
- DTXSID
DTXSID00939543
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Melting point
- 185 · 185-187 °C
- Boiling point
- 379.7 · 379.7±10.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 11.02 · 11.02±0.40(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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