Cas no 62248-66-2 (1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-)
62248-66-2 structure
Product Name:1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-
CAS No:62248-66-2
MF:C12H13N
MW:171.238322973251
CID:452492
PubChem ID:21622464
Update Time:2025-04-19
1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-
- 1-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
- AKOS014712613
- DTXSID50616397
- SCHEMBL779686
- 1-methyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
- NYHVRJJOGMZJKX-UHFFFAOYSA-N
- 62248-66-2
-
- Inchi： 1S/C12H13N/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3
- InChI Key： NYHVRJJOGMZJKX-UHFFFAOYSA-N
- SMILES： N#CC1(C)C2C=CC=CC=2CCC1
Computed Properties
- Exact Mass: 171.10489
- Monoisotopic Mass: 171.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-methyl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
62248-66-2 (1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-) Related Products
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