Basic information
- CAS
58814-55-4- Standard SMILES
CN(C)c1cc2ccccc2c(N)n1- InChIKey
HIARQWAOAUEZDE-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- N3,N3-dimethylisoquinoline-1,3-diamine
- IUPAC
- 3-N,3-N-dimethylisoquinoline-1,3-diamine
Names & synonyms
58814-55-4N3,N3-dimethylisoquinoline-1,3-diamineRefChem:831547976-246-61-Amino-3-dimethylamino-isochinolin3-N,3-N-dimethylisoquinoline-1,3-diamineN-(1-amino-3-isoquinolinyl)-N,N-dimethylamineEN300-8639992AM-814/41093193
Database identifiers
- CAS
58814-55-4- PubChem CID
- 217006
- EC Number
- 976-246-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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