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1267391-08-1 | Isoquinoline, 1,2,3,4-tetrahydro-4,4,7-trimethyl-
CAS No: 1267391-08-1 Catalog No: AG000T5E MDL No:MFCD19347449
Product Description
Catalog Number:
AG000T5E
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-4,4,7-trimethyl-
CAS Number:
1267391-08-1
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD19347449
IUPAC Name:
4,4,7-trimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17N/c1-9-4-5-11-10(6-9)7-13-8-12(11,2)3/h4-6,13H,7-8H2,1-3H3
InChI Key:
RBGFTCPAEVUWGY-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CNCC2(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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