Basic information
- CAS
727983-40-6- Standard SMILES
CCCN(CCC)c1ccc(S(=O)(=O)N(CC)CC)cc1N- InChIKey
HTUBEPGBKXNDKU-UHFFFAOYSA-N- Molecular formula
- C16H29N3O2S
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.19804835
Names & identifiers
- Preferred name
- 3-amino-4-(dipropylamino)-N,N-diethylbenzene-1-sulfonamide
- IUPAC
- 3-amino-4-(dipropylamino)-N,N-diethylbenzenesulfonamide
Names & synonyms
3-amino-4-(dipropylamino)-N,N-diethylbenzene-1-sulfonamide727983-40-6RefChem:497220966-391-33-Amino-4-dipropylamino-N,N-diethyl-benzenesulfonamide3-amino-4-(dipropylamino)-N,N-diethylbenzenesulfonamideAKOS034467226EN300-08560G35880Z56942079
Database identifiers
- CAS
727983-40-6- PubChem CID
- 3853258
- EC Number
- 966-391-3
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
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, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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
Loading…