Basic information
- CAS
26278-65-9- Standard SMILES
CC1(C)Cc2ccccc2C(=O)N1- InChIKey
YKISAKLZEVDYGO-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- ST4095320
- IUPAC
- 3,3-dimethyl-2,4-dihydroisoquinolin-1-one
- English name
- 3,3-DiMethyl-3,4-dihydroisoquinolin-1(2H)-one
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
26278-65-9ST4095320DTXSID30349712RefChem:381527DTXCID303007823,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-one3,3-dimethyl-2,4-dihydroisoquinolin-1-oneMFCD015594573,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-one3,3-dimethyl-3,4-dihydroisocarbostyrilMLS000079706SCHEMBL4842012
Show more names
3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ol1(2H)-Isoquinolinone, 3,4-dihydro-3,3-dimethyl-
CHEMBL1881403SCHEMBL29964356YKISAKLZEVDYGO-UHFFFAOYSA-NHMS2166C09HMS3320F12STK791076AKOS005611142DA-42994
Database identifiers
- CAS
26278-65-9- PubChem CID
- 658147
- DTXSID
DTXSID30349712- ChEMBL
CHEMBL1881403- EC Number
- 196-878-9
- Nikkaji
- J2.921.759I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
Related reactions
1 records
Compound notes
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