9-(메틸아미노메틸)안트라센

9-(Methylaminomethyl)anthracene

HCID 188128CAS 73356-19-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNCc1c2ccccc2cc2ccccc12
InChIKey: WRVHTDZJMNUGQN-UHFFFAOYSA-N
분자식: C16H15N
평균 분자량: 221.3 g/mol
단동위원소 질량: 221.12044948

개요

structure given in first source

이름 및 식별자

우선 이름: 9-(Methylaminomethyl)anthracene
IUPAC: 1-anthracen-9-yl-N-methylmethanamine
현지명: 9-(메틸아미노메틸)안트라센
영어명: 9-(METHYLAMINOMETHYL)ANTHRACENE
분자식: C16H15N
분자량: 221.3

이름 및 동의어

9-(Methylaminomethyl)anthracene9-MeNHMe-anthraceneRefChem:549142626-710-673356-19-11-(Anthracen-9-yl)-N-methylmethanamine1-anthracen-9-yl-N-methylmethanamineMFCD000099339-(n-methylaminomethyl)anthraceneN-Methyl-9-anthracenemethylamineBIDD:GT07409-(N-methylaminomethyl)-anthracene

이름 더 보기

9-(메틸아미노메틸)안트라센1-(Anthracen-9-yl)Methyl(9-anthrylmethyl)amine9-METHYLAMINOMETHYLANTRACENEN-(9-Anthrylmethyl)methanamineN-Methylanthracene-9-ylmethanamine9-(METHYLAMINOMETHYL)ANTHRACENE 99%N-(Anthracene-9-ylmethyl)methanamine

9-(Methylaminomethyl)anthracene, 99%SY034260CS-0045374N-Methyl-9-anthracenemethanamineN-Methyl-9-anthracenemethylamine; 9-MethylaminomethylanthraceneN-methyl-9-anth9-Anthracenemethanamine, N-methyl-9-Anthracenemethanamine, N_methyl-

데이터베이스 식별자

CAS: 73356-19-1
PubChem CID: 188128
DTXSID: DTXSID80994079
EC Number: 626-710-6
Nikkaji: J236.684C

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 57 · 57-59 °C (lit.)
끓는 점: 389.6 · 389.6±11.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.75 · 9.75±0.10(Predicted)
색상: 연한 노란색에서 진한 노란색까지
InChI: 1S/C16H15N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10,17H,11H2,1H3
InChIKey: WRVHTDZJMNUGQN-UHFFFAOYSA-N
SMILES: CNCc1c2ccccc2cc3ccccc13

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도9-(Methylaminomethyl)anthracene (MAMA) was used as a model drug in the study of the effect of enzymatic degradation on the release behaviors of MAMA by UV-Vis spectroscopy. It was also used as a reagent in a sensitive method for determination of isocyanates in air by HPLC via UV or fluorescence detection.

일반 설명9-(Methylaminomethyl)anthracene is an isocyanate derivatizing reagent.