Basic information
- CAS
77796-20-4- Standard SMILES
CC(C)C1NCCc2ccccc21- InChIKey
ZGSAVXFMPOZYTJ-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
Names & identifiers
- Preferred name
- 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
- English name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)- (9CI)
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
77796-20-41-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline1-Isopropyl-1,2,3,4-tetrahydroisoquinolineMFCD00957561CHEMBL2824751-propan-2-yl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)-1-Isopropyl-1,2,3,4-tetrahydro-isoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)- (9CI)SCHEMBL1012767SCHEMBL29768316CDA79620
Show more names
BDBM50017027EBC-06405AKOS011660678NS-01460SY139751DB-2876611,2,3,4-Tetrahydro-1-isopropylisoquinolineCS-0231798
Database identifiers
- CAS
77796-20-4- ChEMBL
CHEMBL282475- Nikkaji
- J1.089.135C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…