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180079-59-8

180079-59-8 | Carbamic acid, [1-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)

CAS No: 180079-59-8 Catalog No: AG0021OJ MDL No:MFCD06660373

Product Description

Catalog Number:
AG0021OJ
Chemical Name:
Carbamic acid, [1-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
180079-59-8
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD06660373
IUPAC Name:
tert-butyl N-[1-(3-aminophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H20N2O2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
InChI Key:
QZEKBDHFLADZKW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1cccc(c1)N)C

Properties

Complexity:
261  
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:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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