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162046-50-6 | Carbamic acid, N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 162046-50-6 Catalog No: AG001SO5 MDL No:MFCD04071350
Product Description
Catalog Number:
AG001SO5
Chemical Name:
Carbamic acid, N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
162046-50-6
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD04071350
IUPAC Name:
tert-butyl N-[(2-aminophenyl)methyl]carbamate
InChI:
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChI Key:
ZTBNOFSSMFDTHM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccccc1N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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