N-(4-Methoxybenzyl)pyridin-2-amine

HCID 97452CAS 52818-63-0

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Basic information

Standard SMILES: COc1ccc(CNc2ccccn2)cc1
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
Molecular formula: C13H14N2O
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.11061307

Names & identifiers

Preferred name: N-(4-Methoxybenzyl)pyridin-2-amine
IUPAC: N-[(4-methoxyphenyl)methyl]pyridin-2-amine
English name: 2-(4-Methoxybenzylamino)pyridine
Molecular formula: C13H14N2O
Molecular weight: 214.26

Names & synonyms

52818-63-0N-(4-methoxybenzyl)pyridin-2-aminep-Anisyl(2-pyridyl)amineV4N1TI20XXN-[(4-Methoxyphenyl)methyl]-2-pyridinamineEINECS 258-202-1UNII-V4N1TI20XXNSC-1241382-(p-methoxybenzylamino)pyridine2-Pyridinamine, N-((4-methoxyphenyl)methyl)-DTXSID70200797MEPYRAMINE MALEATE IMPURITY A

Show more names

MEPYRAMINE IMP AMepyramine Impurity 1Mepyramine EP Impurity A2-(P-METHOXYBENZYL)AMINOPYRIDINEMepyramine Maleate EP Impurity A2-(P-METHOXYBENZYL)AMINOPYRIMIDINE

SKF-47437NSC 124138N-((4-METHOXYPHENYL)METHYL)-2-PYRIDINAMINERefChem:202013DTXCID001232882-(4-Methoxybenzylamino)pyridineN-[(4-methoxyphenyl)methyl]pyridin-2-amineMFCD00006252

Database identifiers

CAS: 52818-63-0
PubChem CID: 97452
DTXSID: DTXSID70200797
UNII: V4N1TI20XX
EC Number: 258-202-1
Nikkaji: J62.787I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 34.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 121 · 121-126 °C
Boiling point: 354.4 °C · 354.4°C (rough estimate)
Density: 1.085 · 1.0850 (rough estimate)
refractive index: 1.645 · 1.6450 (estimate)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
pka: 6.28 · 6.28±0.10(Predicted)
Major Application: pharmaceutical (small molecule)
InChI: 1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
SMILES: N(Cc2ccc(cc2)OC)c1ncccc1
FDA UNII: 4 N1TI20XX · V4N1TI20XX
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 501 · P501-P270-P264-P301+P312+P330
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 29333999 · 29333999

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)

Safety data

hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H302
Precautionary statements: P501-P270-P264-P301+P312+P330

Chemistry & industry

Applications

UsesN-[(4-Methoxyphenyl)methyl]-2-pyridinamine was used in the study of synthesis and microbiology evaluations of (N-heteroaryl)arylmethanamines and their Schiff bases.