Basic information
- Standard SMILES
c1ccc(CNc2ccccn2)cc1- InChIKey
WYHXNQXDQQMTQI-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004838
Names & identifiers
- Preferred name
- 2-(Benzylamino)pyridine
- IUPAC
- N-benzylpyridin-2-amine
- English name
- 2-Benzylaminopyridine
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
2-BENZYLAMINOPYRIDINE6935-27-92-(Benzylamino)pyridine2-Pyridinamine, N-(phenylmethyl)-2M6W78559ONSC-59833DTXSID9064508RefChem:465678DTXCID9046491230-060-5N-Benzylpyridin-2-amineN-benzyl-2-pyridinamine
Show more names
AURORA KA-4160Benzyl(2-pyridyl)amineN-BENZYL-2-PYRIDYLAMINEALPHA-BENZYLAMINOPYRIDINEBENZYL-PYRIDIN-2-YL-AMINEN-(2-Pyridine)benzylamine
Pyridine, 2-(benzylamino)-N-(phenylmethyl)pyridin-2-amineN-(2-Pyridyl)benzylamineMFCD00006251benzyl-2-pyridylamineUNII-2M6W78559OEnamine_005854EINECS 230-060-5
Database identifiers
- CAS
6935-27-9- PubChem CID
- 23362
- DTXSID
DTXSID9064508- ChEMBL
CHEMBL391815- UNII
- 2M6W78559O
- EC Number
- 230-060-5
- Nikkaji
- J149.490B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 95 · 95-97 °C (lit.)
- Boiling point
- 116 · 116-131 °C/0.6 mmHg (lit.)
- Density
- 1.116 · 1.1160 (rough estimate)
- refractive index
- 1.6266 · 1.6266 (estimate)
- Flash point
- 182 °C/12mm · 182°C/12mm
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 6.61 · 6.61±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- BRN
- 134309 · 134309
- InChI
- 1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
- InChIKey
- WYHXNQXDQQMTQI-UHFFFAOYSA-N
- SMILES
- C(Nc1ccccn1)c2ccccc2
- CAS DataBase Reference
- 6935 · 6935-27-9(CAS DataBase Reference)
- FDA UNII
- 2 M6W78559O · 2M6W78559O
- EPA Substance Registry System
- 2 · 2-Pyridinamine, N-(phenylmethyl)- (6935-27-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-40-36/37/38-20/21/22
- Safety Statements
- 26 · 26-39-36-22
- WGK Germany
- 3 · 3
- RTECS
- 2700000 · US2700000
- TSCA
- TSCA listed
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- US2700000
- hs_code
- 29333999
- risk_code
- 22-37/38-41-40-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39-36-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinamine, N-(phenylmethyl)-: ACTIVE
Applications
Uses2-(Benzylamino)pyridine is used as a reactant in the amination of aryl chlorides, bromides, and triflates catalyzed by palladium complexes.
General Description2-Benzylaminopyridine on reaction with BBr3 yields the corresponding amino or hydroxy substituted compounds. It forms 5- and 6-coordinated organometallic complexes of gallium(III) and indium(III).
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
4 records
Linked notes
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