Cas no 58814-41-8 (3-tert-butylisoquinolin-1-amine)
58814-41-8 structure
Product Name:3-tert-butylisoquinolin-1-amine
CAS No:58814-41-8
MF:C13H16N2
MW:200.279542922974
CID:1612327
PubChem ID:3041923
Update Time:2025-04-21
3-tert-butylisoquinolin-1-amine Chemical and Physical Properties
Names and Identifiers
-
- 3-tert-butylisoquinolin-1-amine
- BRN 0474703
- 1-Isoquinolinamine, 3-(1,1-dimethylethyl)-
- DB-339538
- Isoquinoline, 1-amino-3-tert-butyl-
- AKOS005232368
- SCHEMBL1370441
- 5-22-10-00433 (Beilstein Handbook Reference)
- 1-Amino-3-tert-butylisoquinoline
- 58814-41-8
- DTXSID30207545
-
- Inchi： 1S/C13H16N2/c1-13(2,3)11-8-9-6-4-5-7-10(9)12(14)15-11/h4-8H,1-3H3,(H2,14,15)
- InChI Key： BXWSZTOFUTUGKG-UHFFFAOYSA-N
- SMILES： N1C(=C2C=CC=CC2=CC=1C(C)(C)C)N
Computed Properties
- Exact Mass: 200.13148
- Monoisotopic Mass: 200.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 38.9?2
Experimental Properties
- PSA: 38.91
3-tert-butylisoquinolin-1-amine Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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