1-(4-methoxyphenyl)-N-methylmethanamine

HCID 485407CAS 702-24-9

기본 정보

표준 SMILES: CNCc1ccc(OC)cc1
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 1-(4-methoxyphenyl)-N-methylmethanamine
IUPAC: 1-(4-methoxyphenyl)-N-methylmethanamine
영어명: N-(4-Methoxybenzyl)-N-methylamine
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

N-Methyl-4-methoxybenzylamine1-(4-methoxyphenyl)-N-methylmethanamineRefChem:425778662-855-1702-24-94-Methoxy-N-methylbenzylamineN-(4-Methoxybenzyl)-N-methylamineBenzenemethanamine, 4-methoxy-N-methyl-MFCD04115407[(4-methoxyphenyl)methyl](methyl)amine1-(4-methoxyphenyl)-N-methyl-methanamine4-methoxy-N-methylbenzenemethanamine

이름 더 보기

)-N-MethyLAKOS BC-0897JACS-702-24-9N-(4-Methoxybenzyl)-4-(Methoxybenzyl)-N-methylamine

2-Naphthyl phosphate calcium salt hydrate(4-Methoxy-benzyl)-methyl-amineN-Methyl-p-methoxybenzylamine(4-methoxyphenyl)-N-methylmethanamineSCHEMBL9831methyl-4-methoxybenzyl amine4-methoxy-N-methylbenzyl amineN-(4-Methoxybenzyl)methylamine

데이터베이스 식별자

CAS: 702-24-9
PubChem CID: 485407
DTXSID: DTXSID80220466
ChEMBL: CHEMBL1178119
EC Number: 662-855-1
Nikkaji: J971.867B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 97.7

물리화학적 성질

녹는점: 238 °C · 238 °C
끓는 점: 88 °C · 88 °C
밀도: 1.008 g/mL · 1.008 g/mL at 25 °C
굴절률: 20 · n20/D1.529
인화점: 109 ℃ · 109℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 10.14 · 10.14±0.10(Predicted)
색상: 클리어 베이지
InChI: InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
SMILES: C1(CNC)=CC=C(OC)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 04-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18136

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

안전 데이터

wgk: 1
ridadr: UN 2735 8/PG III
HS 번호: 2921490090
risk_code: 36/37/38-34-22
hazard_code: C,Xn
safety_code: 26-36/37/39
포장분류: III
위험 등급: 8

화학 및 산업

응용 분야 · 1건

용도N-(4-Methoxybenzyl)-N-methylamine is used in the synthetic preparation of many types of compounds, including the synthesis of trifluoromethyl-sulfonimidamides from sulfinamides as well as the preparation of piperazinylquinazoline amine compounds as toll-like receptor 9 signaling antagonists for treatment of immune disorders.