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59261-37-9 | 1,4-DIMETHYL-3,4-DIHYDRO-ISOQUINOLINE
CAS No: 59261-37-9 Catalog No: AG00E9D6 MDL No:
Product Description
Catalog Number:
AG00E9D6
Chemical Name:
1,4-DIMETHYL-3,4-DIHYDRO-ISOQUINOLINE
CAS Number:
59261-37-9
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
1,4-dimethyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C11H13N/c1-8-7-12-9(2)11-6-4-3-5-10(8)11/h3-6,8H,7H2,1-2H3
InChI Key:
BEGGTDKXWFOTME-UHFFFAOYSA-N
SMILES:
CC1=NCC(c2c1cccc2)C
NSC Number:
272275
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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