Basic information
- CAS
76419-97-1- Standard SMILES
COc1cc2c(cc1O)CCNC2C- InChIKey
YTPRLBGPGZHUPD-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol is a member of isoquinolines.
Names & identifiers
- Preferred name
- 7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
- IUPAC
- 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
- English name
- Salsoline
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol76419-97-17-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol6-isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-1-methyl-, hydrochloride(+,-)-SalsolineSpectrum_001463SpecPlus_000614Spectrum2_000540Spectrum3_001113Spectrum4_001951Spectrum5_000887Oprea1_746478
Show more names
DL-Salsoline7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-ol6-Isoquinolinol, 1,2,3,4-tetrahydro-7-Methoxy-1-Methyl-1-Methyl-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolinel
BSPBio_002846CBDivE_000261KBioGR_002385KBioSS_001943DivK1c_006710SPBio_000559orb1990127SCHEMBL1009940
Database identifiers
- CAS
76419-97-1- PubChem CID
- 46695
- DTXSID
DTXSID80871573
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Collision Cross Section
134.47 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
145.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 223 · 223-224℃
- Boiling point
- 336.7 · 336.7±42.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3 (20 ºC 760 Torr)
- pka
- 9.32 · 9.32±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesSalsoline (dl-Salsoline) is an alkaloid that can be isolated from Alangium lamarckii[1].
Suppliers23 total
北京炎礼生物科技有限公司18600731423 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
3 records
Compound notes
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