Basic information
- CAS
252061-94-2- Standard SMILES
c1ccc(COc2ccc3c(c2)CNCC3)cc1- InChIKey
PTJGGNFFJMNHPL-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101416
Names & identifiers
- Preferred name
- 7-(Benzyloxy)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
- English name
- 7-(benzyloxy)-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C16H17NO
- Molecular weight
- 239.31
Names & synonyms
7-(benzyloxy)-1,2,3,4-tetrahydroisoquinolineDTXSID10614278RefChem:310136DTXCID50565033252061-94-2152035-13-77-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline7-Benzyloxy-1,2,3,4-tetrahydroisoquinoline7-benzyloxy-1,2,3,4-tetrahydro-isoquinolineSCHEMBL3503754CHEMBL4945993SCHEMBL29474892
Show more names
6-(benzyloxy)-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6-(phenylmethoxy)-7-(benzyloxy)-1,2,3,4-tetrahydroisoquinoline ISO 9001：2015 REACH
PTJGGNFFJMNHPL-UHFFFAOYSA-NCGA03513AKOS011660136DA-09970DB-086572CS-0376357EN300-1703381Z979717354
Database identifiers
- CAS
252061-94-2- PubChem CID
- 21463014
- DTXSID
DTXSID10614278- ChEMBL
CHEMBL4945993
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 400.5 · 400.5±45.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 9 · 9+-.0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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-H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
苏州迪飞医药科技有限公司18651107528 18651107528 · [email protected]
苏州岚云医药科技有限公司2332782371 · [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]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
4 records
Compound notes
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