Cas no 258528-41-5 (1(2H)-Naphthalenone,5-amino-3,4-dihydro-8-methyl-)
258528-41-5 structure
Product Name:1(2H)-Naphthalenone,5-amino-3,4-dihydro-8-methyl-
CAS No:258528-41-5
MF:C11H13NO
MW:175.227022886276
CID:247060
PubChem ID:14024372
Update Time:2025-04-19
1(2H)-Naphthalenone,5-amino-3,4-dihydro-8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Naphthalenone,5-amino-3,4-dihydro-8-methyl-
- 258528-41-5
- IWIUOTRLBHTUGU-UHFFFAOYSA-N
- 5-Amino-8-methyl-3,4-dihydronaphthalen-1(2H)-one
- SCHEMBL7098070
- 5-amino-8-methyl-1,2,3,4-tetrahydronaphthalen-1-one
- 5-amino-8-methyltetralone
-
- Inchi： 1S/C11H13NO/c1-7-5-6-9(12)8-3-2-4-10(13)11(7)8/h5-6H,2-4,12H2,1H3
- InChI Key： IWIUOTRLBHTUGU-UHFFFAOYSA-N
- SMILES： O=C1CCCC2C(=CC=C(C)C=21)N
Computed Properties
- Exact Mass: 175.099714038g/mol
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 214
- 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: 1.7
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09000
- LogP: 2.67740
1(2H)-Naphthalenone,5-amino-3,4-dihydro-8-methyl- Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
258528-41-5 (1(2H)-Naphthalenone,5-amino-3,4-dihydro-8-methyl-) Related Products
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