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91-61-2 | 6-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
CAS No: 91-61-2 Catalog No: AG00GR7Q MDL No:MFCD00023887
Product Description
Catalog Number:
AG00GR7Q
Chemical Name:
6-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
CAS Number:
91-61-2
MDL Number:
MFCD00023887
IUPAC Name:
6-methyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChI Key:
XOKMRXSMOHCNIX-UHFFFAOYSA-N
EC Number:
202-083-0
UNII:
0I67838Y8K
NSC Number:
65606
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Density functional theory calculations and vibrational spectra of 6-methyl 1,2,3,4-tetrahyroquinoline. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080301 |
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