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75413-98-8 | 6-(tert-butyl)-1,2,3,4-tetrahydroquinoline
CAS No: 75413-98-8 Catalog No: AG00GA9I MDL No:MFCD11126888
Product Description
Catalog Number:
AG00GA9I
Chemical Name:
6-(tert-butyl)-1,2,3,4-tetrahydroquinoline
CAS Number:
75413-98-8
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD11126888
IUPAC Name:
6-tert-butyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C13H19N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h6-7,9,14H,4-5,8H2,1-3H3
InChI Key:
CVUAEQKDQXZBLD-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCCN2)(C)C
EC Number:
278-202-5
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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