Cas no 12068-04-1 (Methylnaphthalenesulfonic acid, isopropylamine salt)
12068-04-1 structure
Product Name:Methylnaphthalenesulfonic acid, isopropylamine salt
CAS No:12068-04-1
MF:C14H19NO3S
MW:281.370562791824
CID:142515
PubChem ID:57347073
Update Time:2025-04-19
Methylnaphthalenesulfonic acid, isopropylamine salt Chemical and Physical Properties
Names and Identifiers
-
- Methylnaphthalenesulfonic acid, isopropylamine salt
- Naphthalenesulfonic acid, methyl-, compd. with isopropylamine (1:1)
- Isopropylamine methyl naphthalene sulfonate
- methyl naphthalene-1-sulfonate,propan-2-amine
- DTXSID30923516
- 12068-04-1
- Methyl naphthalene-1-sulfonate--propan-2-amine (1/1)
-
- Inchi： 1S/C11H10O3S.C3H9N/c1-14-15(12,13)11-8-4-6-9-5-2-3-7-10(9)11;1-3(2)4/h2-8H,1H3;3H,4H2,1-2H3
- InChI Key： PQNDAPMARRLPLA-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C2C=CC=CC=12)(=O)(=O)OC.NC(C)C
Computed Properties
- Exact Mass: 281.10856464g/mol
- Monoisotopic Mass: 281.10856464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 315
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8?2
Methylnaphthalenesulfonic acid, isopropylamine salt 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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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