Cas no 112904-95-7 (2-Naphthalenamine, 1,2,3,4-tetrahydro-1,1-dimethyl-)
112904-95-7 structure
Product Name:2-Naphthalenamine, 1,2,3,4-tetrahydro-1,1-dimethyl-
CAS No:112904-95-7
MF:C12H17N
MW:175.270083189011
CID:1200927
PubChem ID:69412219
Update Time:2025-04-20
2-Naphthalenamine, 1,2,3,4-tetrahydro-1,1-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenamine, 1,2,3,4-tetrahydro-1,1-dimethyl-
- 1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-amine
- DTXSID90740463
- 1,1-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
- 112904-95-7
- SCHEMBL5343873
-
- Inchi： 1S/C12H17N/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13/h3-6,11H,7-8,13H2,1-2H3
- InChI Key： MTJBBLASZIKFEM-UHFFFAOYSA-N
- SMILES： NC1CCC2C=CC=CC=2C1(C)C
Computed Properties
- Exact Mass: 175.13621
- Monoisotopic Mass: 175.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 2.6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
2-Naphthalenamine, 1,2,3,4-tetrahydro-1,1-dimethyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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