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866822-22-2 | 1H-Inden-3-amine, N-(1,1-dimethylethyl)-1-methyl-2-phenyl-
CAS No: 866822-22-2 Catalog No: AG004KLI MDL No:
Product Description
Catalog Number:
AG004KLI
Chemical Name:
1H-Inden-3-amine, N-(1,1-dimethylethyl)-1-methyl-2-phenyl-
CAS Number:
866822-22-2
Molecular Formula:
C20H23N
Molecular Weight:
277.4033
IUPAC Name:
N-tert-butyl-3-methyl-2-phenyl-3H-inden-1-amine
InChI:
InChI=1S/C20H23N/c1-14-16-12-8-9-13-17(16)19(21-20(2,3)4)18(14)15-10-6-5-7-11-15/h5-14,21H,1-4H3
InChI Key:
UTBHLGRXZZOAHC-UHFFFAOYSA-N
SMILES:
CC1C(=C(c2c1cccc2)NC(C)(C)C)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.411g/mol
Monoisotopic Mass:
277.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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