BIS-(4-메톡시-벤질)-아민

Bis(4-methoxybenzyl)amine

HCID 714952CAS 17061-62-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CNCc2ccc(OC)cc2)cc1
InChIKey: HBKPDEWGANZHJO-UHFFFAOYSA-N
분자식: C16H19NO2
평균 분자량: 257.33 g/mol
단동위원소 질량: 257.14157885

이름 및 식별자

우선 이름: Bis(4-methoxybenzyl)amine
IUPAC: 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
현지명: BIS-(4-메톡시-벤질)-아민
영어명: Bis-(4-methoxy-benzyl)-amine
분자식: C16H19NO2
분자량: 257.33

이름 및 동의어

Bis(4-methoxybenzyl)amine17061-62-0bis[(4-methoxyphenyl)methyl]amineDTXSID00351948bis((4-methoxyphenyl)methyl)amineRefChem:568908DTXCID10303014810-785-9Bis-(4-methoxy-benzyl)-amineN,N-bis(4-methoxybenzyl)amineBis-(4-methoxybenzyl)-amineMFCD00277836

이름 더 보기

BIS-(4-메톡시-벤질)-아민dianisylamineCHEMBRDG-BB 5550428Bis(4-methoxybenzyl)N-Bis(4-methoxybenzyl)amineBis(4-methoxybenzyl)amine,97%N,N-bis(p-methoxybenzyl)amineBI5-(4-M ETHOXY-BENZYL)-AMI NE

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanaminebis-(4-methoxybenzyl)amineN-(4-Methoxybenzyl)-1-(4-methoxyphenyl)methanamine; N,N-Bis(4-Methoxybenzyl)amine; Bis(4-methoxybenzyl)amine; 4,4'-dimethoxy-dibenzylamineBenzenemethanamine, 4-methoxy-N-[(4-methoxyphenyl)methyl]-di(4-methoxybenzyl)amineMaybridge1_007781bis(para-methoxybenzyl)amineCambridge id 5550428

데이터베이스 식별자

CAS: 17061-62-0
PubChem CID: 714952
DTXSID: DTXSID00351948
ChEMBL: CHEMBL1625290
ChEBI: CHEBI:195038
EC Number: 810-785-9
Nikkaji: J1.014.526K

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 35 · 35-37℃
끓는 점: 384 ℃ · 384℃
밀도: 1.073 · 1.073
인화점: 161 ℃ · 161℃
저장 조건: 2 · 2-8°C(protect from light)
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.55 · 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

GHS Classification · 5건

Danger

H314 (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.

유해성 정보

Regulatory InformationStatus: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122

Hazard Classes and CategoriesSkin Corr. 1C (80%)；Skin Irrit. 2 (20%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)

규제 정보

Regulatory InformationStatus: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122

안전 데이터

HS 번호: 2922190090
hazard_code: Xi
위험 등급: 8

화학 및 산업

응용 분야 · 1건

용도N,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.