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961-38-6 | 2,4,6-Tri-tert-butylaniline
CAS No: 961-38-6 Catalog No: AG003FOE MDL No:MFCD00011645
Product Description
Catalog Number:
AG003FOE
Chemical Name:
2,4,6-Tri-tert-butylaniline
CAS Number:
961-38-6
Molecular Formula:
C18H31N
Molecular Weight:
261.4454
MDL Number:
MFCD00011645
IUPAC Name:
2,4,6-tritert-butylaniline
InChI:
InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChI Key:
REJGDSCBQPJPQT-UHFFFAOYSA-N
SMILES:
Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
EC Number:
213-507-9
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.246g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.453g/mol
Monoisotopic Mass:
261.246g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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