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Home > Indoles and Oxindole > 891503-75-6
891503-75-6 | 1H-Benz[e]indole,1,2-dimethyl-1-(phenylmethyl)-
CAS No: 891503-75-6 Catalog No: AG003WSP MDL No:MFCD11519039
Product Description
Catalog Number:
AG003WSP
Chemical Name:
1H-Benz[e]indole,1,2-dimethyl-1-(phenylmethyl)-
CAS Number:
891503-75-6
Molecular Formula:
C21H19N
Molecular Weight:
285.3823
MDL Number:
MFCD11519039
IUPAC Name:
1-benzyl-1,2-dimethylbenzo[e]indole
InChI:
InChI=1S/C21H19N/c1-15-21(2,14-16-8-4-3-5-9-16)20-18-11-7-6-10-17(18)12-13-19(20)22-15/h3-13H,14H2,1-2H3
InChI Key:
SUUPXNJGESLRBB-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(C1(C)Cc1ccccc1)c1ccccc1cc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.39g/mol
Monoisotopic Mass:
285.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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