6-Isoquinolinol, 1,2,3,4-tetrahydro-2-methyl-
Basic information
- CAS
14097-39-3- Standard SMILES
CN1CCc2cc(O)ccc2C1- InChIKey
BMLTXAQSFDCMHA-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Overview
longimammosine has been reported in Mammillaria longimamma with data available.
Names & identifiers
- Preferred name
- 6-Isoquinolinol, 1,2,3,4-tetrahydro-2-methyl-
- IUPAC
- 2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
- English name
- 1,2,3,4-Tetrahydro-2-methyl-6-isoquinolinol
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
14097-39-36-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-2-METHYL-DTXSID10161510RefChem:1074013DTXCID10840012-Methyl-1,2,3,4-tetrahydroisoquinolin-6-ol1,2,3,4-Tetrahydro-2-methyl-6-isoquinolinol2-methyl-3,4-dihydro-1H-isoquinolin-6-olMFCD01444792LongimammosineBRN 0004403CHEMBL5093214
Show more names
1,2,3,4-Tetrahydro-2-methylisoquinolin-6-ol
SCHEMBL12158830BMLTXAQSFDCMHA-UHFFFAOYSA-NAKOS004907208DA-10554DS-16089SY110837CS-0047256F14525
Database identifiers
- CAS
14097-39-3- PubChem CID
- 26458
- DTXSID
DTXSID10161510- ChEMBL
CHEMBL5093214- Nikkaji
- J274.348E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-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
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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