Basic information
- CAS
13946-02-6- Standard SMILES
CC(C)CCCC(C)NC(C)C- InChIKey
NKGYBXHAQAKSSG-UHFFFAOYSA-N- Molecular formula
- C11H25N
- Average molar mass
- 171.32 g/mol
- Monoisotopic mass
- 171.1986998
Overview
Iproheptine is a secondary amino compound.
Names & identifiers
- Preferred name
- Iproheptine
- IUPAC
- 6-methyl-N-propan-2-ylheptan-2-amine
- English name
- iproheptine
- Molecular formula
- C11H25N
- Molecular weight
- 171.32
Names & synonyms
Iproheptine13946-02-6IproheptinaMetron SIproheptine [INN]IproheptinumDTXSID8046248Iproheptinum [INN-Latin]N-Isopropyl-1,5-dimethylhexylamineIproheptina [INN-Spanish]NSC-760441P021X7VTG0
Show more names
Isopropyl-1,5-dimethylhexylamineN-Isopropyl-1,5-dimethylhexan-1-amine2-Heptanamine, 6-methyl-N-(1-methylethyl)-
EINECS 237-726-4METRON S [MI]IPROHEPTINE [WHO-DD]DTXCID6026248NSC 760441Iproheptinum (INN-Latin)Iproheptina (INN-Spanish)RefChem:791228
Database identifiers
- CAS
13946-02-6- PubChem CID
- 19917
- DTXSID
DTXSID8046248- ChEMBL
CHEMBL2103925- ChEBI
CHEBI:134804- UNII
- P021X7VTG0
- EC Number
- 237-726-4
- Nikkaji
- J8.463H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 97.2
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 23 · bp23 84-85°
- Density
- 0.778 · 0.778±0.06 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.29(Predicted)
- FDA UNII
- 21 X7VTG0 · P021X7VTG0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Usesvasoconstrictor, antihistamine, nasal decongestant
Suppliers2 total
上海陶素生化科技有限公司021-33632979 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Iproheptine is a secondary amino compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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