Cas no 172348-74-2 (Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester)
172348-74-2 structure
Product Name:Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester
CAS No:172348-74-2
MF:C18H24N2O4
MW:332.394165039063
CID:137282
PubChem ID:3683768
Update Time:2025-04-19
Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester
- N,N-DI-BOC-4-AMINOMETHYL BENZONITRILE
- tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
- 4-(di-tert-butoxycarbonylaminomethyl)benzonitrile
- CS-W020281
- SCHEMBL1009189
- 4-{N,N-bis-(tert-butoxycarbonyl)aminomethyl}benzonitrile
- XAMAFLWCELXNAY-UHFFFAOYSA-N
- Imidodicarbonic acid,2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl)ester
- di(tert-butyl) 4-cyanobenzylimidodicarbonate
- N,N-bis(tert-butoxycarbonyl)-4-cyanobenzylamine
- 172348-74-2
- AKOS015911049
- D77882
- 4{N,N-bis-(tert-butoxycarbonyl)aminomethyl}benzonitrile
- DTXSID80395002
- N,N-DI-BOC-4-AMINOMETHYLBENZONITRILE
-
- Inchi: 1S/C18H24N2O4/c1-17(2,3)23-15(21)20(16(22)24-18(4,5)6)12-14-9-7-13(11-19)8-10-14/h7-10H,12H2,1-6H3
- InChI Key: XAMAFLWCELXNAY-UHFFFAOYSA-N
- SMILES: O(C(N(C(=O)OC(C)(C)C)CC1C=CC(C#N)=CC=1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 332.17400
- Monoisotopic Mass: 332.174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 471
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 79.6?2
Experimental Properties
- Density: 1.13
- Boiling Point: 434.6°C at 760 mmHg
- Flash Point: 216.7°C
- Refractive Index: 1.524
- PSA: 79.63000
- LogP: 4.23048
Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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