Home Other Building Blocks [2-AMINO-2-(4-CYANO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER HYDROCHLORIDE

[2-AMINO-2-(4-CYANO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER HYDROCHLORIDE

CAS No.:
939760-53-9
Catalog Number:
AG003CR2
Molecular Formula:
C14H20ClN3O2
Molecular Weight:
297.7805
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Product Description
Catalog Number:
AG003CR2
Chemical Name:
[2-AMINO-2-(4-CYANO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER HYDROCHLORIDE
CAS Number:
939760-53-9
Molecular Formula:
C14H20ClN3O2
Molecular Weight:
297.7805
MDL Number:
MFCD09028250
IUPAC Name:
tert-butyl N-[2-amino-2-(4-cyanophenyl)ethyl]carbamate;hydrochloride
InChI:
InChI=1S/C14H19N3O2.ClH/c1-14(2,3)19-13(18)17-9-12(16)11-6-4-10(8-15)5-7-11;/h4-7,12H,9,16H2,1-3H3,(H,17,18);1H
InChI Key:
QNOKDFGERXNFIH-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)C#N)CNC(=O)OC(C)(C)C.Cl
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.124g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
297.783g/mol
Monoisotopic Mass:
297.124g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties