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1171245-32-1 | CarbaMic acid, N-[2-[[(4-broMophenyl)Methyl]aMino]ethyl]-, 1,1-diMethylethyl ester
CAS No: 1171245-32-1 Catalog No: AG000DRP MDL No:MFCD22690785
Product Description
Catalog Number:
AG000DRP
Chemical Name:
CarbaMic acid, N-[2-[[(4-broMophenyl)Methyl]aMino]ethyl]-, 1,1-diMethylethyl ester
CAS Number:
1171245-32-1
Molecular Formula:
C14H21BrN2O2
Molecular Weight:
329.2327
MDL Number:
MFCD22690785
IUPAC Name:
tert-butyl N-[2-[(4-bromophenyl)methylamino]ethyl]carbamate
InChI:
InChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-9-8-16-10-11-4-6-12(15)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,17,18)
InChI Key:
SEKSWSYUCLOSGX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNCc1ccc(cc1)Br
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.238g/mol
Monoisotopic Mass:
328.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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