Basic information
- CAS
32537-26-1- Standard SMILES
Cl.Cl.NC(N)=NCCC1NC2CC3CC(C2)CC1C3- InChIKey
FYDKDHNIHUHBJG-UHFFFAOYSA-N- Molecular formula
- C13H26Cl2N4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 308.1534522
Names & identifiers
- Preferred name
- 4-Azatricyclo(4.3.1.1(sup 3,8))undecane, 4-(2-guanidinoethyl)-, dihydrochloride
- IUPAC
- 2-[2-(4-azatricyclo[4.3.1.13,8]undecan-5-yl)ethyl]guanidine;dihydrochloride
Names & synonyms
4-(2-Guanidinoethyl)-4-azahomoadamantane dihydrochloride4-(2-Guanidinoethyl)-4-azatricyclo(4.3.1.1(sup 3,8))undecane dihydrochloride32537-26-14-AZATRICYCLO(4.3.1.1(sup 3,8))UNDECANE, 4-(2-GUANIDINOETHYL)-, DIHYDROCHLORIDEGuanidine, 1-(2-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)ethyl)-, dihydrochlorideRefChem:290178DTXSID40954270N-[2-(4-Azatricyclo[4.3.1.1~3,8~]undecan-5-yl)ethyl]guanidine--hydrogen chloride (1/2)
Database identifiers
- CAS
32537-26-1- PubChem CID
- 36161
- DTXSID
DTXSID40954270
Properties
Computed structural properties
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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