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180079-94-1 | Carbamic acid, N-[2-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 180079-94-1 Catalog No: AG0021OI MDL No:MFCD05663960
Product Description
Catalog Number:
AG0021OI
Chemical Name:
Carbamic acid, N-[2-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
180079-94-1
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD05663960
IUPAC Name:
tert-butyl N-[2-(3-aminophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-8-7-10-5-4-6-11(14)9-10/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChI Key:
LYUHXMSAHNAMFY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1cccc(c1)N
Properties
Complexity:
248
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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