2-Naphthalenaminium, 7-hydroxy-N,N,N-trimethyl-, methyl sulfate (1:1)
Basic information
- CAS
377734-55-9- Standard SMILES
COS(=O)(=O)[O-].C[N+](C)(C)c1ccc2ccc(O)cc2c1- InChIKey
GEDKRKQRFSXAAO-UHFFFAOYSA-N- Molecular formula
- C14H19NO5S
- Average molar mass
- 313.37 g/mol
- Monoisotopic mass
- 313.09839388
Names & identifiers
- Preferred name
- 2-Naphthalenaminium, 7-hydroxy-N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- (7-hydroxynaphthalen-2-yl)-trimethylazanium;methyl sulfate
- English name
- 7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium methyl sulfate
- Molecular formula
- C14H19NO5S
- Molecular weight
- 313.36936
Names & synonyms
377734-55-92-Naphthalenaminium, 7-hydroxy-N,N,N-trimethyl-, methyl sulfate (1:1)RefChem:2640797-Hydroxy-N,N,N-trimethylnaphthalen-2-aminium methyl sulfateDTXSID901335766(7-hydroxynaphthalen-2-yl)-trimethylazanium;methyl sulfate7-Hydroxy-N,N,N-trimethyl-2-naphthalenaminium methyl sulfate (1:1)2-Naphthalenaminium, 7-hydroxy-N,N,N-trimethyl-, methyl sulfate
Database identifiers
- CAS
377734-55-9- PubChem CID
- 92017259
- DTXSID
DTXSID901335766- EC Number
- 807-380-4
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Density
- 0.75 g/cm3 · 0.75g/cm3 at 20℃
- InChI
- InChI=1S/C13H15NO.CH4O4S/c1-14(2,3)12-6-4-10-5-7-13(15)9-11(10)8-12;1-5-6(2,3)4/h4-9H,1-3H3;1H3,(H,2,3,4)
- InChIKey
- GEDKRKQRFSXAAO-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC(O)=C2)=CC=C1[N+](C)(C)C.S([O-])(OC)(=O)=O
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H332-H317-H400-H410
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P273-P391-P501-P261-P271-P304+P340-P312-P273-P391-P501
- REACH Registrations
- Inactive
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: (7-Hydroxy-2-naphthyl)-trimethylammonium methyl sulphate (EC: 807-380-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H318-H302-H332-H317-H400-H410
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P273-P391-P501-P261-P271-P304+P340-P312-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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