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

HCID 97452CAS 52818-63-0

기본 정보

표준 SMILES: COc1ccc(CNc2ccccn2)cc1
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
분자식: C13H14N2O
평균 분자량: 214.26 g/mol
단동위원소 질량: 214.11061307

이름 및 식별자

우선 이름: N-(4-Methoxybenzyl)pyridin-2-amine
IUPAC: N-[(4-methoxyphenyl)methyl]pyridin-2-amine
영어명: 2-(4-Methoxybenzylamino)pyridine
분자식: C13H14N2O
분자량: 214.26

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 34.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 121 · 121-126 °C
끓는 점: 354.4 °C · 354.4°C (rough estimate)
밀도: 1.085 · 1.0850 (rough estimate)
굴절률: 1.645 · 1.6450 (estimate)
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
산도 계수 (pKa): 6.28 · 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

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

HS 번호: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT

화학 및 산업

응용 분야

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

공급사45 곳

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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