CAS 39253-43-5 4-Methoxy-4'-methyldiphenylamine (HCID 11435828)

기본 정보

CAS: 39253-43-5
표준 SMILES: COc1ccc(Nc2ccc(C)cc2)cc1
InChIKey: KIDXWDVZFZMXGM-UHFFFAOYSA-N
분자식: C14H15NO
평균 분자량: 213.27 g/mol
단동위원소 질량: 213.1153641

이름 및 식별자

우선 이름: 4-Methoxy-4'-methyldiphenylamine
IUPAC: N-(4-methoxyphenyl)-4-methylaniline
현지명: N-(4-메톡시페닐)-4-메틸벤젠아민
영어명: N-(4-Methoxyphenyl)-4-methylbenzenamine
분자식: C14H15NO
분자량: 213.27

이름 및 동의어

4-Methoxy-4'-methyldiphenylamineRefChem:524612677-590-74-Methoxy-N-(p-tolyl)aniline39253-43-5N-(4-Methoxyphenyl)-4-methylbenzenamine4-Methoxy-N-(4-methylphenyl)anilineN-(4-methoxyphenyl)-4-methylanilineMFCD00092922N-(4-methoxyphenyl)-4-methyl-anilineN-(p-methoxyphenyl)-p-toluidineN-p-methoxyphenyl-N-p-tolylamine

이름 더 보기

N-(4-메톡시페닐)-4-메틸벤젠아민Glycerol Impurity 1284-methoxy-N-4-tolylaniline(4-Methoxy-phenyl)-p-tolylanMine(4-METHOXY-PHENYL)-P-TOLYL-AMINE4-Methoxy-4'-methyldiphenylamine>N-(4-methoxyphenyl)-4-methylanilineN-(4-Methoxyphenyl)-4-methylbenzamine

AKOS015915383FT-0653248A824488SCHEMBL4427303DTXSID40465790N-(4-Methoxyphenyl)-p-tolylamineCS-W014969SB66912

데이터베이스 식별자

CAS: 39253-43-5
PubChem CID: 11435828
DTXSID: DTXSID40465790
EC Number: 677-590-7
Nikkaji: J896.889F

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 82 to · 82.0 to 86.0 °C
끓는 점: 354.9 · 354.9±25.0 °C(Predicted)
밀도: 1.089 · 1.089±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1.92 · 1.92±0.40(Predicted)
색상: White to Light gray to Light yellow
InChI: InChI=1S/C14H15NO/c1-11-3-5-12(6-4-11)15-13-7-9-14(16-2)10-8-13/h3-10,15H,1-2H3
InChIKey: KIDXWDVZFZMXGM-UHFFFAOYSA-N
SMILES: C1(NC2=CC=C(C)C=C2)=CC=C(OC)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2922.29.8190

화학 및 산업

응용 분야

용도N-(4-Methoxyphenyl)-4-methylbenzenamine is primarily used for producing materials in electronics such as OLEDs and other small molecule semiconductors.