Basic information
- CAS
151911-63-6- Standard SMILES
CC(C)c1cc2ccccc2c(S(=O)(=O)O)c1C(C)C.CCCCN- InChIKey
CGVVALGPEWKFJS-UHFFFAOYSA-N- Molecular formula
- C20H31NO3S
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.20246502
Names & identifiers
- Preferred name
- Naphthalenesulfonic acid, bis(1-methylethyl)-, compd. with 1-butanamine (1:1)
- IUPAC
- butan-1-amine;2,3-di(propan-2-yl)naphthalene-1-sulfonic acid
Names & synonyms
151911-63-6RefChem:164629SCHEMBL41967295CGVVALGPEWKFJS-UHFFFAOYSA-N
Database identifiers
- CAS
151911-63-6- PubChem CID
- 44153178
- EC Number
- 810-037-1
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
Physical DescriptionLiquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 21 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Naphthalenesulfonic acid, bis(1-methylethyl)-, compd. with 1-butanamine (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalenesulfonic acid, bis(1-methylethyl)-, compd. with 1-butanamine (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Petroleum Refineries
Naphthalenesulfonic acid, bis(1-methylethyl)-, compd. with 1-butanamine (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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