Basic information
- CAS
30146-73-7- Standard SMILES
Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCc3ccccc3C2)n1- InChIKey
DSUYNRMTAJWASV-UHFFFAOYSA-N- Molecular formula
- C24H29N7
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.24844395
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-benzyl-1-piperazinyl)methyl)-s-triazin-2-yl)-
- IUPAC
- 4-[(4-benzylpiperazin-1-yl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
- English name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-benzyl-1-piperazinyl )methyl)-s-triazin-2-yl)-
- Molecular formula
- C24H29N7
- Molecular weight
- 415.53
Names & synonyms
30146-73-7Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-benzyl-1-piperazinyl)methyl)-s-triazin-2-yl)-AF 79BRN 07287244-[(4-Benzyl-1-piperazinyl)methyl]-6-(3,4-dihydro-2(1H)-isoquinolinyl)-1,3,5-triazin-2-amineDTXSID401842374-[(4-Benzylpiperazin-1-yl)methyl]-6-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3,5-triazin-2-amineIsoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-benzyl-1-piperazinyl )methyl)-s-triazin-2-yl)-1,3,5-Triazin-2-amine, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-
Database identifiers
- CAS
30146-73-7- PubChem CID
- 207516
- DTXSID
DTXSID40184237
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 650.6 · 650.6±65.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 6.71 · 6.71±0.10(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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