Cas no 51570-74-2 (Benzenaminium,3-amino-N,N,N-trimethyl-)
51570-74-2 structure
Product Name:Benzenaminium,3-amino-N,N,N-trimethyl-
Benzenaminium,3-amino-N,N,N-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenaminium,3-amino-N,N,N-trimethyl-
- 3-trimethylammonium aniline
- 3-Amino-N,N,N-trimethylanilinium
- 51570-74-2
- Benzenaminium, 3-amino-N,N,N-trimethyl-
- CHEMBL1626784
- m-Trimethylammonium aniline
- NS00123218
- SCHEMBL4622321
- DTXSID10965893
- 3-Trimethyl-ammonium aniline
- PD178036
-
- Inchi： 1S/C9H15N2/c1-11(2,3)9-6-4-5-8(10)7-9/h4-7H,10H2,1-3H3/q+1
- InChI Key： LMLUMAXYHUEBJH-UHFFFAOYSA-N
- SMILES： [N+](C)(C)(C)C1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 151.12365
- Monoisotopic Mass: 151.124
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 126
- 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
- Topological Polar Surface Area: 26A^2
- XLogP3: 1.2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 26.02
Benzenaminium,3-amino-N,N,N-trimethyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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