Cas no 143708-27-4 (4-amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone)
143708-27-4 structure
Product Name:4-amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone
CAS No:143708-27-4
MF:C10H14N2O
MW:178.230962276459
CID:1106151
PubChem ID:10035171
Update Time:2025-04-20
4-amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone
- 143708-27-4
- DTXSID301202074
- DB-138250
-
- Inchi： 1S/C10H14N2O/c1-6-7-4-2-3-5-8(7)9(11)10(13)12-6/h2-5,11H2,1H3,(H,12,13)
- InChI Key： JNKKPSMOJOTOKJ-UHFFFAOYSA-N
- SMILES： O=C1C(=C2CCCCC2=C(C)N1)N
Computed Properties
- Exact Mass: 178.110613074g/mol
- Monoisotopic Mass: 178.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 326
- 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: 0.6
- Topological Polar Surface Area: 55.1?2
4-amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
143708-27-4 (4-amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone) Related Products
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