Basic information
- CAS
308292-51-5- Standard SMILES
O=C(Cc1cccc2c(S(=O)O)cccc12)NC(c1ccccc1)c1ccccc1- InChIKey
DQKUHQGDWWMCIU-UHFFFAOYSA-N- Molecular formula
- C25H21NO3S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.12421471
Names & identifiers
- Preferred name
- 5-{[N-(diphenylmethyl)carbamoyl]methyl}naphthalenesulfinic acid
- IUPAC
- 5-[2-(benzhydrylamino)-2-oxoethyl]naphthalene-1-sulfinic acid
Names & synonyms
308292-51-55-{[N-(diphenylmethyl)carbamoyl]methyl}naphthalenesulfinic acidCBMicro_002122Oprea1_244481Oprea1_758591SMSF0016045AKOS001628550CB03645CCG-108141ST022059BIM-0002014.P001SR-01000453244
Show more names
SR-01000453244-15-(2-(benzhydrylamino)-2-oxoethyl)naphthalene-1-sulfinic acid5-(2-(BENZHYDRYLAMINO)-2-OXOETHYL)-1-NAPHTHALENESULFINIC ACID
Database identifiers
- CAS
308292-51-5- PubChem CID
- 978481
- EC Number
- 144-153-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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