Basic information
- CAS
582-22-9- Standard SMILES
CC(CN)c1ccccc1- InChIKey
AXORVIZLPOGIRG-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Overview
2-phenylpropylamine is a phenylalkylamine that is propan-1-amine substituted by a phenyl group at position 2. It is classified as a doping agent by the World Anti-Doping Agency. It has a role as an antihypotensive agent. It is a member of benzenes and a phenylalkylamine.
Names & identifiers
- Preferred name
- 2-Phenylpropylamine
- IUPAC
- 2-phenylpropan-1-amine
- English name
- 2-PHENYLPROPYLAMINE
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
2-Phenylpropylamine582-22-9beta-Methylphenethylamine2-phenyl-1-propanamine2-phenyl-1-propylamine2-PHENYLPROPANAMINEBenzeneethanamine, .beta.-methyl-.beta.-Methylphenethylamine6XL7O3V13LBenzeneethanamine, beta-methyl-NSC-272273DTXSID10870630
Show more names
β-MethylphenethylamineNSC 272273AKOS 236-27ASISCHEM D19374AKOS BBS-00006774RARECHEM AL BW 0191
RefChem:478223DTXCID50818334(+-)-BETA-METHYLPHENETHYLAMINE(+-)-.BETA.-METHYLPHENETHYLAMINE209-479-22-phenylpropan-1-amine1-Amino-2-phenylpropaneBMPEA
Database identifiers
- CAS
582-22-9- PubChem CID
- 11398
- DTXSID
DTXSID10870630- ChEMBL
CHEMBL158578- ChEBI
CHEBI:229522- UNII
- 6XL7O3V13L
- EC Number
- 209-479-2
- Nikkaji
- J53.744F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84.7
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (S)
Physicochemical properties
- Melting point
- 116 °C · 116°C (estimate)
- Boiling point
- 80 °C10 · 80 °C10 mm Hg(lit.)
- Density
- 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.524(lit.)
- Flash point
- 175 °F · 175 °F
- pka
- 9.92 · 9.92±0.10(Predicted)
- Sensitive
- Air Sensitive
- InChI
- 1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
- InChIKey
- AXORVIZLPOGIRG-UHFFFAOYSA-N
- SMILES
- CC(CN)c1ccccc1
- CAS DataBase Reference
- 582 · 582-22-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 XL7O3V13L · 6XL7O3V13L
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 9520000 · SH9520000
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214900 · 29214900
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzeneethanamine, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- SH9520000
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29214900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Usesβ-Methylphenethylamine was used for molecular imprinting and to study the space filling models depicting minimized structures for each enantiomer.
Uses2-PHENYLPROPYLAMINE was used for molecular imprinting and to study the space filling models depicting minimized structures for each enantiomer 1 .
General Descriptionβ-Methylphenethylamine is considered to be a positional isomer of amphetamine.
Upstream & downstream products
Downstream products
Related reactions
55 records
Compound notes
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