Basic information
- CAS
4836-98-0- Standard SMILES
NN1CCc2ccccc2C1- InChIKey
IYANYSZUKHQLKL-UHFFFAOYSA-N- Molecular formula
- C9H12N2
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10004839
Names & identifiers
- Preferred name
- 2-Amino-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 3,4-dihydro-1H-isoquinolin-2-amine
- English name
- 1,2,3,4-Tetrahydroisoquinolin-2-amine
- Molecular formula
- C9H12N2
- Molecular weight
- 148.21
Names & synonyms
4836-98-0ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-AMINO-6SW9KP0INHNSC 82330BRN 0137593N-Amino-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 2-amino-1,2,3,4-tetrahydro-UNII-6SW9KP0INHNSC-823302-AMINO-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID701974965-20-06-00339 (Beilstein Handbook Reference)
Show more names
1,2,3,4-tetrahydro-2-amino-isoquinoline
2(1H)-Isoquinolinamine, 3,4-dihydro-3,4-DIHYDRO-2(1H)-ISOQUINOLINAMINERefChem:197655DTXCID80119987Isoquinoline, 2-amino-1,2,3,4-tetrahydro-(8CI)3,4-DIHYDROISOQUINOLIN-2(1H)-AMINE1,2,3,4-TETRAHYDROISOQUINOLIN-2-AMINE3,4-dihydro-1H-isoquinolin-2-amine
Database identifiers
- CAS
4836-98-0- PubChem CID
- 20975
- DTXSID
DTXSID70197496- UNII
- 6SW9KP0INH
- Nikkaji
- J41.127B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 85 °C · 85 °C(Press: 0.5 Torr)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 7.56 · 7.56±0.20(Predicted)
- FDA UNII
- 6 SW9KP0INH · 6SW9KP0INH
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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