Cas no 83-68-1 (1,4-Naphthalenediamine,2-methyl-)
83-68-1 structure
Product Name:1,4-Naphthalenediamine,2-methyl-
1,4-Naphthalenediamine,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenediamine,2-methyl-
- 2-methylnaphthalene-1,4-diamine
- 83-68-1
- 1,4-diamino-2-methylnaphthalene
- UNII-YL68XZ7ZVU
- YL68XZ7ZVU
- 2-Methyl-1,4-diaminonaphthalene
- Vitamin K6
- DTXSID30431565
- 2-Methyl-1,4-naphthalenediamine
- SCHEMBL352532
-
- Inchi： 1S/C11H12N2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,12-13H2,1H3
- InChI Key： BCKLPBBBFNWJHH-UHFFFAOYSA-N
- SMILES： NC1C(C)=CC(=C2C=CC=CC2=1)N
Computed Properties
- Exact Mass: 172.100048391g/mol
- Monoisotopic Mass: 172.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 2.2
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.1024 (rough estimate)
- Melting Point: 113.5°C
- Boiling Point: 292.55°C (rough estimate)
- Refractive Index: 1.5738 (estimate)
1,4-Naphthalenediamine,2-methyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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