Basic information
- CAS
1352318-65-0- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ncccc2C#N)cc1- InChIKey
QGJABBNRUXAGQR-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.13207679
Names & identifiers
- Preferred name
- tert-Butyl N-[4-(3-cyanopyridin-2-yl)phenyl]carbamate
- IUPAC
- tert-butyl N-[4-(3-cyano-2-pyridinyl)phenyl]carbamate
- English name
- tert-Butyl N-[4-(3-cyanopyridin-2-yl)phenyl]carbamate
- Molecular formula
- C17H17N3O2
- Molecular weight
- 295.34
Names & synonyms
1352318-65-0tert-Butyl N-[4-(3-cyanopyridin-2-yl)phenyl]carbamatetert-Butyl (4-(3-cyanopyridin-2-yl)phenyl)carbamateMFCD20529532tert-Butyl [4-(3-cyanopyridin-2-yl)phenyl]carbamateDTXSID10718588BS-26687CS-02123181-(Boc-amino)-4-(3-cyanopyridin-2-yl)benzenetert-Butyl(4-(3-cyanopyridin-2-yl)phenyl)carbamatetert-butyl N-[4-(3-cyano-2-pyridyl)phenyl]carbamateCarbamic acid, N-[4-(3-cyano-2-pyridinyl)phenyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1352318-65-0- PubChem CID
- 56777501
- DTXSID
DTXSID10718588
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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