Basic information
- CAS
63905-65-7- Standard SMILES
CCOc1cc2c(cc1OCC)C[NH2+]CC2.[Cl-]- InChIKey
GXDZORNOMJIKNT-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO2
- Average molar mass
- 257.75 g/mol
- Monoisotopic mass
- 257.1182566
Overview
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Names & identifiers
- Preferred name
- 6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolinium chloride
- IUPAC
- 6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
- English name
- 6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
- Molecular formula
- C13H20ClNO2
- Molecular weight
- 257.76
Names & synonyms
6,7-diethoxy-1,2,3,4-tetrahydroisoquinolinium chlorideNSC 266347-Diethoxy-16,7-diethoxy-1,2,3,4-tetrahydroisoquinolineHCl6,7-diethoxy-1,2,3,4-tetrahydro-isoquinolinhydrochloride6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride,98%6,7-DIETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98%Isoquinoline,6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride (1:1)6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 98% 250MG
Database identifiers
- CAS
63905-65-7- PubChem CID
- 45104
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 275 · 275-277 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- InChI
- 1S/C13H19NO2.ClH/c1-3-15-12-7-10-5-6-14-9-11(10)8-13(12)16-4-2;/h7-8,14H,3-6,9H2,1-2H3;1H
- InChIKey
- GXDZORNOMJIKNT-UHFFFAOYSA-N
- SMILES
- Cl.CCOc1cc2CCNCc2cc1OCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P391-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 36 · 36/37/38-22-50
- Safety Statements
- 37 · 37/39-26-61
- WGK Germany
- 3 · WGK 3
- HS Code
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
- 29334900
- risk_code
- 36/37/38-22-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 37/39-26-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Suppliers20 total
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
0 records
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Compound notes
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