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162696-15-3 | Carbamic acid, N-[[4-(aminoiminomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 162696-15-3 Catalog No: AG001TC3 MDL No:MFCD03839883
Product Description
Catalog Number:
AG001TC3
Chemical Name:
Carbamic acid, N-[[4-(aminoiminomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
162696-15-3
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
MDL Number:
MFCD03839883
IUPAC Name:
tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate
InChI:
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-9-4-6-10(7-5-9)11(14)15/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17)
InChI Key:
ARUMMNTYOXBYCC-UHFFFAOYSA-N
SMILES:
NN=Cc1ccc(cc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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