Basic information
- CAS
33421-40-8- Standard SMILES
Nc1ccc(-c2ccccc2)cn1- InChIKey
OAPVIBHQRYFYSE-UHFFFAOYSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439832
Overview
5-Phenyl-2-pyridinamine is a phenylpyridine.
Names & identifiers
- Preferred name
- 5-Phenyl-2-pyridinamine
- IUPAC
- 5-phenylpyridin-2-amine
- English name
- 2-Amino-5-phenylpyridine
- Molecular formula
- C11H10N2
- Molecular weight
- 170.21
Names & synonyms
2-Amino-5-phenylpyridine5-phenylpyridin-2-amine33421-40-85-Phenyl-2-pyridinamine2-Pyridinamine, 5-phenyl-Phe-P-1Pyridine, 2-amino-5-phenyl-5-phenyl-2-aminopyridineBJY2E567LBDTXSID40187061RefChem:103386DTXCID50109552
Show more names
AKOS BAR-16132-amino-5-phenyl-pyridin2-Amino-5-phenylpyridine >2-Amino-5-phenylpyridine,97%
672-513-3MFCD016924525-phenylpyridin-2-ylaminePhe-P 15-phenyl-pyridin-2-ylamine2-Amino-5-phenylpyridine, AldrichCPRDS-1599SY022020
Database identifiers
- CAS
33421-40-8- PubChem CID
- 105097
- DTXSID
DTXSID40187061- ChEBI
CHEBI:177805- UNII
- BJY2E567LB
- EC Number
- 672-513-3
- Nikkaji
- J45.282C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
Melting Point136 - 137 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 324 ℃ · 324℃
- Density
- 1.133 · 1.133
- refractive index
- 1.52 · 1.5200 (estimate)
- Flash point
- 176 ℃ · 176℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.32 · 6.32±0.13(Predicted)
- color
- Off-White to Light Yellow
- InChI
- 1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
- InChIKey
- OAPVIBHQRYFYSE-UHFFFAOYSA-N
- SMILES
- Nc1ccc(cn1)-c2ccccc2
- CAS DataBase Reference
- 33421 · 33421-40-8(CAS DataBase Reference)
- FDA UNII
- 2 E567LB · BJY2E567LB
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 335 · H335-H351-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280h-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-36-22-40
- Safety Statements
- 26 · 26-36/37/39-36/37
- WGK Germany
- 3 · WGK 3
- RTECS
- 2145000 · US2145000
- HS Code
- 29333990 · 29333990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2
- Toxicity
- 100 mg/plate · mma-sat 100 mg/plate CPBTAL 26,611,78
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- rtecs
- US2145000
- hs_code
- 29333990
- Toxicity
- mma-sat 100 mg/plate CPBTAL 26,611,78
- risk_code
- 36/37/38-36-22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36/37
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H335-H351-H315-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280h-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesA product from the pyrolysis of phenylalanine
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: 5-Phenyl-2-pyridinamine is a phenylpyridine.
Related reactions
149 records
Compound notes
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