Basic information
- CAS
909034-76-0- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1ccccc12- InChIKey
VQUGGGAYIJXYRU-UHFFFAOYSA-N- Molecular formula
- C18H25NO3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.18344366
Names & identifiers
- Preferred name
- Tert-butyl spiro[isochroman-1,4'-piperidine]-1'-carboxylate
- IUPAC
- tert-butyl spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxylate
- English name
- tert-butyl spiro[isochroman-1,4'-piperidine]-1'-carboxylate
- Molecular formula
- C18H25NO3
- Molecular weight
- 303.4
Names & synonyms
tert-butyl spiro[isochroman-1,4'-piperidine]-1'-carboxylate909034-76-0tert-butyl spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxylatetert-Butyl spiro[isochromane-1,4'-piperidine]-1'-carboxylateSCHEMBL12701504DTXSID60723263tert-Butylspiro[isochroman-1,4'-piperidine]-1'-carboxylateAKOS015999823tert-Butyl 3,4-dihydrospiro[[2]benzopyran-1,4'-piperidine]-1'-carboxylatetert-Butyl 3,4-dihydro-1'H-spiro[2-benzopyran-1,4'-piperidine]-1'-carboxylate2-Methyl-2-propanyl 3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidine]-1'-carboxylateSpiro[1H-2-benzopyran-1,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
Database identifiers
- CAS
909034-76-0- PubChem CID
- 57355705
- DTXSID
DTXSID60723263
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 425.2 · 425.2±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -0.85 · -0.85±0.20(Predicted)
- 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
Suppliers8 total
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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