B 1287
Basic information
- CAS
20110-56-9- Standard SMILES
CC(N)Cc1cccc(I)c1.Cl- InChIKey
LTWHBMCQYRDUKW-UHFFFAOYSA-N- Molecular formula
- C9H13ClIN
- Average molar mass
- 297.56 g/mol
- Monoisotopic mass
- 296.97812
Overview
structure in first source
Names & identifiers
- Preferred name
- B 1287
- IUPAC
- 1-(3-iodophenyl)propan-2-amine;hydrochloride
- English name
- 3-Iodoamphetamine (hydrochloride)
- Molecular formula
- C9H13ClIN
- Molecular weight
- 297.56369
Names & synonyms
20110-56-9B 1287RefChem:116174B1287 saccharide1-(m-Iodophenyl)-2-propylamine hydrochloride3-Iodoamphetamine (hydrochloride)1-(3-iodophenyl)propan-2-amine hydrochloride1-(3-iodophenyl)propan-2-amine;hydrochloride2-Propylamine, 1-(m-iodophenyl)-, hydrochloridePhenethylamine, 3-iodo-alpha-methyl-, hydrochlorideDTXSID409421371-(3-Iodophenyl)propan-2-amine--hydrogen chloride (1/1)
Show more names
1-(3-iodophenyl)propan-2-amine1-(3-iodophenyl)propan-2-amine:hydrochlorideBenzeneethanamine, 3-iodo-α-methyl-, hydrochloride (1:1)
Benzeneethanamine, 3-iodo-alpha-methyl-, hydrochloride (1:1)
Database identifiers
- CAS
20110-56-9- PubChem CID
- 209677
- DTXSID
DTXSID40942137
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 196 °C · 196 °C
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 20 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310-P321-P330-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P332+P313-P337+P313-P403+P233-P405-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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310-P321-P330-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionSome halogenated amphetamines deplete brain serotonin levels and display pronounced neurotoxicity. 3-Iodoamphetamine is a halogenated amphetamine featuring an iodine atom at the meta position of the phenyl group. The physiological and toxicological properties of this compound are not known. This product is intended for forensic and research applications.
Uses3-Iodoamphetamine (hydrochloride) is a biochemical reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…