2,2,2'-트리메틸프로피온아닐리드

2,2,2'-Trimethylpropionanilide

HCID 2734005CAS 61495-04-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccccc1NC(=O)C(C)(C)C
InChIKey: CSGRQLUGMVFNON-UHFFFAOYSA-N
분자식: C12H17NO
평균 분자량: 191.27 g/mol
단동위원소 질량: 191.13101416

이름 및 식별자

우선 이름: 2,2,2'-Trimethylpropionanilide
IUPAC: 2,2-dimethyl-N-(2-methylphenyl)propanamide
현지명: 2,2,2'-트리메틸프로피온아닐리드
영어명: 2,2,2'-Trimethylpropionanilide
분자식: C12H17NO
분자량: 191.27

이름 및 동의어

2,2,2'-TrimethylpropionanilideRefChem:440371626-516-161495-04-3N-(o-Tolyl)pivalamide2,2-dimethyl-N-(2-methylphenyl)propanamideMFCD00075432n-pivaloyl-o-toluidineN-o-tolylpivalamideo-Me-pivanilideSCHEMBL397003SCHEMBL1447993

이름 더 보기

2,2,2'-트리메틸프로피온아닐리드N-Pivaloyl-o-toluidine,99%2,2,2'-TrimethylpropionailideN-Pivaloyl-O-toluidine, GC 98%N-Pivaloyl-o-toluidine, 99% 5GR2,2,2'-Trimethylpropionanilide ,99%N-tertpentylacylorthomethylbenzeneamine

SCHEMBL1524872SCHEMBL2900637DTXSID203700752,2,2''-TrimethylpropionanilideCSGRQLUGMVFNON-UHFFFAOYSA-N2,2-dimethyl-N-o-tolyl-propionamide2,2-dimethyl-N-(o-tolyl)propanamideAKOS003853846

데이터베이스 식별자

CAS: 61495-04-3
PubChem CID: 2734005
DTXSID: DTXSID20370075
EC Number: 626-516-1
Nikkaji: J1.185.973I

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 111 · 111-115 °C
끓는 점: 327.03 °C · 327.03°C (rough estimate)
밀도: 1.0096 · 1.0096 (rough estimate)
굴절률: 1.522 · 1.5220 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 15.13 · 15.13±0.70(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C12H17NO/c1-9-7-5-6-8-10(9)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey: CSGRQLUGMVFNON-UHFFFAOYSA-N
SMILES: C(NC1=CC=CC=C1C)(=O)C(C)(C)C

화학적 성질

white crystalline powder

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
HS 번호: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,2,2′-Trimethylpropionanilide (2,2,2-N-pivaloyl-o-toluidine) may be used to determine the concentration of lithium diisopropylamide mono(tetrahydrofuran) via titration. It may be used to determine the concentrations of alkyllithiums by titration, to the colorimetric endpoint, indicated by the persistence of a yellow color in the solution.