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210882-44-3 | Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)-
CAS No: 210882-44-3 Catalog No: AG002L1M MDL No:
Product Description
Catalog Number:
AG002L1M
Chemical Name:
Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)-
CAS Number:
210882-44-3
Molecular Formula:
C17H22N2
Molecular Weight:
254.3700
IUPAC Name:
N-[2,6-di(propan-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
InChI:
InChI=1S/C17H22N2/c1-12(2)15-8-5-9-16(13(3)4)17(15)19-11-14-7-6-10-18-14/h5-13,18H,1-4H3
InChI Key:
DEUAJESEJNJMBD-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N=Cc1[nH]ccc1)C(C)C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.377g/mol
Monoisotopic Mass:
254.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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