Basic information
- CAS
871731-76-9- Standard SMILES
COc1ccc2cc(C(C)=O)cc(N(C(C)=O)C(=O)OC(C)(C)C)c2c1- InChIKey
GTVALBVJKOAQEC-UHFFFAOYSA-N- Molecular formula
- C20H23NO5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15762283
Names & identifiers
- Preferred name
- tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate
- IUPAC
- tert-butyl N-acetyl-N-(3-acetyl-7-methoxynaphthalen-1-yl)carbamate
- English name
- tert-butyl acetyl(3-acetyl-7-Methoxynaphthalen-1-yl)carbaMate
- Molecular formula
- C20H23NO5
- Molecular weight
- 357.4
Names & synonyms
tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate871731-76-9tert-butyl N-acetyl-N-(3-acetyl-7-methoxynaphthalen-1-yl)carbamateSCHEMBL6126436DTXSID80469651AKOS016000433DB-372030CS-0362708tert-butyl N-acetyl-N-(3-acetyl-7-methoxy-1-naphthyl)carbamatetert-Butylacetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate100611Carbamic acid, N-acetyl-N-(3-acetyl-7-methoxy-1-naphthalenyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
871731-76-9- PubChem CID
- 11624622
- DTXSID
DTXSID80469651
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Melting point
- 131 · 131-132 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 508.6 · 508.6±60.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.56 · -1.56±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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