Cas no 35271-57-9 (4-METHYLAMINO CRESOL-2-SULFATE)
35271-57-9 structure
Product Name:4-METHYLAMINO CRESOL-2-SULFATE
CAS No:35271-57-9
MF:C16H24N2O6S
MW:372.436563491821
CID:310306
PubChem ID:37096
Update Time:2025-04-19
4-METHYLAMINO CRESOL-2-SULFATE Chemical and Physical Properties
Names and Identifiers
-
- 4-METHYLAMINO CRESOL-2-SULFATE
- (4-hydroxy-3-methylphenyl)-methylazanium,sulfate
- 4-Methylamino cresol-2-sulfate
- Bis((4-hydroxy-m-tolyl)(methyl)ammonium) sulphate
- bis(4-hydroxy-N,3-dimethylanilinium) sulfate
- o-Cresol, 4-(methylamino)-, hydrogen sulfate (2:1)
- Phenol, 2-methyl-4-(methylamino)-, sulfate (2:1)
- Phenol, 2-methyl-4-(methylamino)-, sulfate (2:1) (salt)
- 35271-57-9
- EINECS 252-475-0
- NS00057532
- 4-METHYLAMINO CRESOL-2-SULFATE
-
- Inchi： 1S/2C8H11NO.H2O4S/c2*1-6-5-7(9-2)3-4-8(6)10;1-5(2,3)4/h2*3-5,9-10H,1-2H3;(H2,1,2,3,4)
- InChI Key： BADYPBVKBVAOLH-UHFFFAOYSA-N
- SMILES： S(=O)(=O)([O-])[O-].OC1C=CC(=CC=1C)[NH2+]C.OC1C=CC(=CC=1C)[NH2+]C
Computed Properties
- Exact Mass: 372.13562
- Monoisotopic Mass: 372.135507
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 168
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 162
Experimental Properties
- Boiling Point: 269.7°Cat760mmHg
- Flash Point: 136.6°C
- PSA: 153.94
4-METHYLAMINO CRESOL-2-SULFATE Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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