tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate
Basic information
- CAS
198904-85-7- Standard SMILES
CC(C)(C)OC(=O)NNCc1ccc(-c2ccccn2)cc1- InChIKey
GIMJTKJSKPENNG-UHFFFAOYSA-N- Molecular formula
- C17H21N3O2
- Average molar mass
- 299.37 g/mol
- Monoisotopic mass
- 299.16337692
Names & identifiers
- Preferred name
- tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate
- IUPAC
- tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamate
- English name
- tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate
- Molecular formula
- C17H21N3O2
- Molecular weight
- 299.37
Names & synonyms
TERT-BUTYL 2-(4-(PYRIDIN-2-YL)BENZYL)HYDRAZINECARBOXYLATERefChem:892344631-555-2198904-85-71-Boc-2-[4-(2-pyridinyl)benzylidene]hydrazineHydrazinecarboxylic acid, 2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl esterMFCD04035550Tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamateSCHEMBL6692N-1-Boc-N-2-[4-(pyridin-2-yl)benzylidene]hydrazineSCHEMBL30637051DTXSID40430867
Show more names
Atazanavir IntermediateAtazanavir Impurity BAtazanavir Impurity 191-BOC-2-PYRIDYLPHENYLMETHYL HYDRAZINEN-1-(tert-butoxycarbonyl)-N-2-[4-(pyritert-Butyl4-(2-pyridyl)benzylcarbazatephenyl]methyl]-,1,1-dimethylethyl esterHydrazinecarboxylic acid,2-[[4-(2-pyridinyl)Hydrazinecarboxylicacid,2-[[4-(2-pyridinyl)pheny
tert-butyl N-[[4-(2-pyridyl)phenyl]methylamino]carbamateGIMJTKJSKPENNG-UHFFFAOYSA-Ntert-butyl 2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylateN'-{[4-(pyridin-2-yl)phenyl]methyl}(tert-butoxy)carbohydrazideAKOS015908769FB188762-[[4-(2-Pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid 1,1-Dimethylethyl EsterHydrazinecarboxylicacid,2-[[4-(2-pyridinyl)phenyl]methyl]-,1,1-dimethylethylester
Database identifiers
- CAS
198904-85-7- PubChem CID
- 9796325
- DTXSID
DTXSID40430867- EC Number
- 631-555-2
- Nikkaji
- J1.647.529G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 74 · 74-77 °C
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.38 · 10.38±0.43(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- CAS DataBase Reference
- 198904 · 198904-85-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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.
GHS classification
GHS Classification
Warning
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesAn intermediate for the preparation of antiviral protease inhibitors.
Upstream & downstream products
Downstream products
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Related reactions
7 records
Compound notes
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