Basic information
- CAS
57196-62-0- Standard SMILES
COc1ccc2c(c1)CC[NH2+]C2.[Cl-]- InChIKey
QIUIKPQXMJJOQT-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO
- Average molar mass
- 199.68 g/mol
- Monoisotopic mass
- 199.0763918
Overview
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Names & identifiers
- Preferred name
- Isoquinoline, 6-methoxy-1,2,3,4-tetrahydro-, hydrochloride
- IUPAC
- 6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
- English name
- 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
- Molecular formula
- C10H14ClNO
- Molecular weight
- 199.68
Names & synonyms
ISOQUINOLINE, 6-METHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride6-Methoxy-1,2,3,4-tetrahydrois6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HCLISOQUINOLINE 1,2,3,4-TETRAHYDRO-6-METHOXY HCL SALT6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE1,2,3,4-tetrahydro-6-methoxyisoquinoline hydrochloride6-Methoxy-1,2,3,4-tetraihydroisoquinoline hydrochloride6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride,95%Isoquinoline, 1,2,3,4-tetrahydro-6-Methoxy-, hydrochlorideIsoquinoline,1,2,3,4-tetrahydro-6-methoxy-,hydrochloride(1:1)Better offer for 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
57196-62-0- PubChem CID
- 42159
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 230 · 230-232.5°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C10H13NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
- InChIKey
- QIUIKPQXMJJOQT-UHFFFAOYSA-N
- SMILES
- Cl.COc1ccc2CNCCc2c1
- CAS DataBase Reference
- 57196 · 57196-62-0
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-51
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
- wgk
- WGK 3
- hs_code
- 2933491090
- risk_code
- 22-51
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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