Basic information
- CAS
113035-24-8- Standard SMILES
CC1=CC2=C(N(C)C)N=C(N(C)C)C2=C1- InChIKey
XMFUWMDSGNYFFY-UHFFFAOYSA-N- Molecular formula
- C12H17N3
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.14224756
Names & identifiers
- Preferred name
- 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl-
- IUPAC
- 1-N,1-N,3-N,3-N,5-pentamethylcyclopenta[c]pyrrole-1,3-diamine
- English name
- 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl-
- Molecular formula
- C12H17N3
- Molecular weight
- 203.28
Names & synonyms
2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl-113035-24-81-N,1-N,3-N,3-N,5-pentamethylcyclopenta[c]pyrrole-1,3-diamineDTXSID30150264N~1~,N~1~,N~3~,N~3~,5-Pentamethylcyclopenta[c]pyrrole-1,3-diamineCyclopenta[c]pyrrole-1,3-diamine, N1,N1,N3,N3,5-pentamethyl-
Database identifiers
- CAS
113035-24-8- PubChem CID
- 145487
- DTXSID
DTXSID30150264
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 373.9 · 373.9±35.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.40(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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