Basic information
- CAS
172348-74-2- Standard SMILES
CC(C)(C)OC(=O)N(Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C- InChIKey
XAMAFLWCELXNAY-UHFFFAOYSA-N- Molecular formula
- C18H24N2O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.17360725
Names & identifiers
- Preferred name
- Tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
- IUPAC
- tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
- English name
- N,N-DI-BOC-4-AMINOMETHYL BENZONITRILE
- Molecular formula
- C18H24N2O4
- Molecular weight
- 332.39
Names & synonyms
172348-74-2Tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamateN,N-Di-Boc-4-aminomethyl benzonitriledi(tert-butyl) 4-cyanobenzylimidodicarbonateN,N-DI-BOC-4-AMINOMETHYLBENZONITRILESCHEMBL1009189DTXSID80395002XAMAFLWCELXNAY-UHFFFAOYSA-NAKOS015911049CS-W020281D778824-(di-tert-butoxycarbonylaminomethyl)benzonitrile
Show more names
tert-butyl (tert-butoxycarbonyl)(4-cyanobenzyl)carbamatetert-butyl ((tert-butoxycarbonyl)(4-cyanobenzyl)amino)-methanoateImidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-, 1,3-bis(1,1-dimethylethyl) ester
N,N-bis(tert-butoxycarbonyl)-4-cyanobenzylamine4-{N,N-bis-(tert-butoxycarbonyl)aminomethyl}benzonitrile4{N,N-bis-(tert-butoxycarbonyl)aminomethyl}benzonitrileDi-tert-butyl [(4-cyanophenyl)methyl]-2-imidodicarbonatetert-butyl N-tert-butoxycarbonyl-N-[(4-cyanophenyl)methyl]carbamate
Database identifiers
- CAS
172348-74-2- PubChem CID
- 3683768
- DTXSID
DTXSID80395002- Nikkaji
- J1.008.209I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Boiling point
- 434.6 · 434.6±55.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- -2.5 · -2.50±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
20 records
Compound notes
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