Cas no 62796-10-5 (1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2,2-dimethyl-)
62796-10-5 structure
Product Name:1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2,2-dimethyl-
CAS No:62796-10-5
MF:C13H15N
MW:185.264903306961
CID:1640124
Update Time:2024-09-11
1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2,2-dimethyl-
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- Inchi： 1S/C13H15N/c1-13(2)8-7-10-5-3-4-6-11(10)12(13)9-14/h3-6,12H,7-8H2,1-2H3
- InChI Key： LMJRVPQWLITTAI-UHFFFAOYSA-N
- SMILES： C1(C#N)C2=C(C=CC=C2)CCC1(C)C
Computed Properties
- Exact Mass: 185.12055
- Monoisotopic Mass: 185.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 258
- 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
- Topological Polar Surface Area: 23.8A^2
Experimental Properties
- Density: 1.02±0.1 g/cm3(Predicted)
- Boiling Point: 312.7±21.0 °C(Predicted)
- PSA: 23.79
1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-2,2-dimethyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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