Basic information
- CAS
56065-37-3- Standard SMILES
CCCC([NH3+])(CCC)CCC.[Cl-]- InChIKey
ZDHVFXADPHSDRI-UHFFFAOYSA-N- Molecular formula
- C10H24ClN
- Average molar mass
- 193.76 g/mol
- Monoisotopic mass
- 193.1597275
Names & identifiers
- Preferred name
- (1,1-Dipropylbutyl)ammonium chloride
- IUPAC
- 4-propylheptan-4-ylazanium chloride
Names & synonyms
(1,1-Dipropylbutyl)ammonium chlorideRefChem:391185259-977-9LCG 21519EINECS 259-977-94-Propyl-4-heptanamine hydrochloride4-HEPTANAMINE, 4-PROPYL-, HYDROCHLORIDENS00054992
Database identifiers
- CAS
56065-37-3- PubChem CID
- 41700
- EC Number
- 259-977-9
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 71.9
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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