(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride
Basic information
- CAS
627098-24-2- Standard SMILES
Cl.N#CCC1NCCc2ccccc21- InChIKey
YJQVHFGAEMWCOV-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2
- Average molar mass
- 208.69 g/mol
- Monoisotopic mass
- 208.0767261
Names & identifiers
- Preferred name
- (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride
- IUPAC
- 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;hydrochloride
- English name
- (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride
- Molecular formula
- C11H13ClN2
- Molecular weight
- 208.69
Names & synonyms
627098-24-2(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochlorideDTXSID30388146RefChem:204118DTXCID803391682-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile HydrochlorideMFCD015296852-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;hydrochlorideSCHEMBL2260010AB09172CS-03584392-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrileHydrochloride
Show more names
(1,2,3,4-Tetrahydroisoquinolin-1-yl)acetonitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
627098-24-2- PubChem CID
- 2991979
- DTXSID
DTXSID30388146
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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