(Phenethylamino)azanium chloride
Basic information
- CAS
5470-36-0- Standard SMILES
[Cl-].[NH3+]NCCc1ccccc1- InChIKey
YXTQJIOOEPPOBO-UHFFFAOYSA-N- Molecular formula
- C8H13ClN2
- Average molar mass
- 172.65 g/mol
- Monoisotopic mass
- 172.0767261
Overview
See also: Phenelzine hydrochloride (preferred).
Names & identifiers
- Preferred name
- (Phenethylamino)azanium chloride
- IUPAC
- (2-phenylethylamino)azanium chloride
- English name
- Phenethyl-hydrazine hydrochloride
- Molecular formula
- C8H13ClN2
- Molecular weight
- 172.66
Names & synonyms
(2-phenylethylamino)azanium;chloride(phenethylamino)azanium chlorideAKOS030242422Phenethyl-hydrazine hydrochloride(2-phenylethyl)hydrazine hydrochlorideHydrazine, (2-phenylethyl)-, hydrochloride
Database identifiers
- CAS
5470-36-0- PubChem CID
- 21646
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 77.3
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- form
- solid
- InChI
- 1S/C8H12N2.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H
- InChIKey
- YXTQJIOOEPPOBO-UHFFFAOYSA-N
- SMILES
- Cl.NNCCc1ccccc1
- FDA UNII
- 1 C3H00Y2L · O1C3H00Y2L
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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
- wgk
- WGK 3
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Suppliers
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Compound notes
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