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

MEPYRAMINE IMP A · Mepyramine Impurity 1 · Mepyramine EP Impurity A · p-anisyl(2-pyridyl)amine · Mepyramine Maleate Impurity A · 2-(P-METHOXYBENZYL)AMINOPYRIDINE · 2-(4-METHOXYBENZYLAMINO)PYRIDINE · Mepyramine Maleate EP Impurity A

https://huagongshe.com/ko/chemical/97452

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

식별자 및 물리적 특성

CAS No.	52818-63-0
분자식	C13H14N2O
평균 분자량	214.26 g/mol
단동위원소 질량	214.11061307 g/mol
SMILES	COc1ccc(CNc2ccccn2)cc1
InChIKey	SMJGJENXFSWIMQ-UHFFFAOYSA-N
PubChem CID	97452
EC No.	258-202-1
DTXSID	DTXSID70200797

화학 및 물리적 성질

XLogP	2.6
극성 표면적	34.2
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	16
형식 전하	0
복잡도	190
녹는점	121-126 °C
끓는 점	354.4°C (rough estimate)
밀도	1.0850 (rough estimate)
굴절률	1.6450 (estimate)
저장 조건	Keep in dark place,Sealed in dry,2-8°C
pKa(산도 계수)	6.28±0.10(Predicted)
주요 응용	의약품(소분자)
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

화학적 성질

white to yellow powder

안전 및 규제

GHS 분류	DangerH302 (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 exposureRespiratory 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 Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Dam. 1 (50%)STOT SE 3 (50%)
관세 코드	29333999
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	24/25
위험 등급	IRRITANT

용도

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