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94838-59-2

94838-59-2 | tert-Butyl 4-aminophenethylcarbamate

CAS No: 94838-59-2 Catalog No: AG003KKY MDL No:MFCD05663961

Product Description

Catalog Number:
AG003KKY
Chemical Name:
tert-Butyl 4-aminophenethylcarbamate
CAS Number:
94838-59-2
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD05663961
IUPAC Name:
tert-butyl N-[2-(4-aminophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChI Key:
HOPALBZGTWDOTL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1ccc(cc1)N

Properties

Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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