Basic information
- CAS
37989-09-6- Standard SMILES
CCN(CC)c1cc2ccccc2c(N)n1.Cl- InChIKey
GGQMMRXTAJMPAQ-UHFFFAOYSA-N- Molecular formula
- C13H18ClN3
- Average molar mass
- 251.75 g/mol
- Monoisotopic mass
- 251.1189253
Names & identifiers
- Preferred name
- Isoquinoline, 1-amino-3-(diethylamino)-, monohydrochloride
- IUPAC
- 3-N,3-N-diethylisoquinoline-1,3-diamine;hydrochloride
- English name
- 1,3-Isoquinolinediamine, N(sup 3),N(sup 3)-diethyl-
- Molecular formula
- C13H18ClN3
- Molecular weight
- 251.75512
Names & synonyms
37989-09-6Isoquinoline, 1-amino-3-(diethylamino)-, monohydrochloride1-Amino-3-(diethylamino)isoquinoline monohydrochloride1,3-Isoquinolinediamine, N(sup 3),N(sup 3)-diethyl-DTXSID70191414RefChem:349989DTXCID801139051-amino-3-(diethylamino)isoquinoline hydrochlorideN~3~,N~3~-Diethylisoquinoline-1,3-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
37989-09-6- PubChem CID
- 217007
- DTXSID
DTXSID70191414
Properties
Computed structural properties
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
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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