tert-Butyl hydrogen (1-phenylethyl)carbonohydrazonate
Basic information
- CAS
69353-16-8- Standard SMILES
CC(NNC(=O)OC(C)(C)C)c1ccccc1- InChIKey
OLRFEBCHQKZIAX-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- tert-Butyl hydrogen (1-phenylethyl)carbonohydrazonate
- IUPAC
- tert-butyl N-(1-phenylethylamino)carbamate
- English name
- 3-(α-Methylbenzyl)carbazic acid tert-butyl ester
- Molecular formula
- C13H20N2O2
- Molecular weight
- 236.31
Names & synonyms
69353-16-8DTXSID80989102tert-Butyl hydrogen (1-phenylethyl)carbonohydrazonateRefChem:1099578DTXCID801416232tert-Butyl (3-alpha-methylbenzyl)carbazateCARBAZIC ACID, 3-(alpha-METHYLBENZYL)-, tert-BUTYL ESTERSCHEMBL7324523tert-butyl 2-(1-phenylethyl)hydrazinecarboxylate3-(α-Methylbenzyl)carbazic acid tert-butyl esterHydrazinecarboxylic acid, 2-(1-phenylethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
69353-16-8- PubChem CID
- 50416
- DTXSID
DTXSID80989102- Nikkaji
- J69.478I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 72 · 72-73 °C(Solv: ethanol (64-17-5))
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- pka
- 10.37 · 10.37±0.43(Predicted)
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Related reactions
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Compound notes
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