BIS-(4-메톡시-벤질)-아민

BIS-(4-메톡시-벤질)-아민 · dianisylamine · N,N-bis(4-methoxybenzyl)amine · 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine · CHEMBRDG-BB 5550428 · Bis(4-methoxybenzyl) · N-Bis(4-methoxybenzyl)amine · Bis-(4-methoxy-benzyl)-amine

https://huagongshe.com/ko/chemical/714952

식별자 및 물리적 특성

CAS No.	17061-62-0
분자식	C16H19NO2
평균 분자량	257.33 g/mol
단동위원소 질량	257.14157885 g/mol
SMILES	COc1ccc(CNCc2ccc(OC)cc2)cc1
InChIKey	HBKPDEWGANZHJO-UHFFFAOYSA-N
PubChem CID	714952
ChEMBL	CHEMBL1625290
ChEBI	CHEBI:195038
EC No.	810-785-9
DTXSID	DTXSID00351948
현지명	BIS-(4-메톡시-벤질)-아민

화학 및 물리적 성질

XLogP	2.7
극성 표면적	30.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	6
무거운 원자 수	19
형식 전하	0
복잡도	207
녹는점	35-37℃
끓는 점	384℃
밀도	1.073
인화점	161℃
저장 조건	2-8°C(protect from light)
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	9.55±0.20(Predicted)
색상	흰색에서 황백색까지
InChI	InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKey	HBKPDEWGANZHJO-UHFFFAOYSA-N
SMILES	C1(CNCC2=CC=C(OC)C=C2)=CC=C(OC)C=C1

안전 및 규제

GHS 분류	DangerH314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 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.
규제 정보	Status: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122
Hazard Classes and Categories	Skin Corr. 1C (80%)Skin Irrit. 2 (20%)Eye Dam. 1 (40%)Eye Irrit. 2 (20%)
관세 코드	2922190090
위험 표시	Xi
위험 등급	8

용도

N,N-Bis(4-methoxybenzyl)amine acts as a reagent for the synthesis and biological evaluation of pentanedioc acid derivatives as farnesyltransferase inhibitors. Also used in the preparation of (heteroarylamino)triazolamines as antiviral agents useful in the treatment of HCV infection.