D,L-N-(2,6-디메틸페닐)아닐린 메틸 에스테르

Methyl N-(2,6-dimethylphenyl)-DL-alaninate

HCID 94555CAS 52888-49-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(C)Nc1c(C)cccc1C
InChIKey: NEOYGRJJOGVQPO-UHFFFAOYSA-N
분자식: C12H17NO2
평균 분자량: 207.27 g/mol
단동위원소 질량: 207.12592879

이름 및 식별자

우선 이름: Methyl N-(2,6-dimethylphenyl)-DL-alaninate
IUPAC: methyl 2-(2,6-dimethylanilino)propanoate
현지명: D,L-N-(2,6-디메틸페닐)아닐린 메틸 에스테르
영어명: methyl N-(2,6-dimethylphenyl)-DL-alaninate
분자식: C12H17NO2
분자량: 207.27

이름 및 동의어

Methyl N-(2,6-dimethylphenyl)-DL-alaninateEINECS 258-237-2RefChem:817901258-237-252888-49-0Methyl 2-((2,6-dimethylphenyl)amino)propanoatemethyl 2-(2,6-dimethylanilino)propanoatemethyl 2-[(2,6-dimethylphenyl)amino]propanoatemethyl (2,6-dimethylphenyl)alaninateMFCD00474548methyl n-(2,6-dimethylphenyl)alaninateN-(2,6-Dimethylphenyl)alaninemethylester

이름 더 보기

D,L-N-(2,6-디메틸페닐)아닐린메틸에스테르D,L-N-(2,6-디메틸페닐)아닐린메틸에스테르메틸N-(2,6-디메틸페닐)-DL-알라니네이트(±)-N-(2,6-Dimethyphenyl)alanine methylN-(2,6-DIMETHYLPHENYL)ALANINEETHYL ESTERAlanine, N-(2,6-dimethylphenyl)-, methyl ester

Methyl2-((2,6-dimethylphenyl)amino)propanoate2-(2,6-Dimethylanilino)propionic acid methyl esterSCHEMBL8039768alpha-(2,6-dimethylanilino)-propionic acid methyl esterDTXSID00967346AKOS016008156N-(2,6-Dimethylphenyl)-DL-alanine methylST50977307

데이터베이스 식별자

CAS: 52888-49-0
PubChem CID: 94555
DTXSID: DTXSID00967346
EC Number: 258-237-2
Nikkaji: J855.350E

물성

구조 계산 물성

XLogP: 3
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 98 · 98-100 °C(Press: 4 Torr)
밀도: 1.063 · 1.063±0.06 g/cm3(Predicted)
증기압: 0.177 Pa · 0.177Pa at 25℃
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄 에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 2.95 · 2.95±0.50(Predicted)
색상: 노란색
수용성: 208.1 mg/L · 208.1mg/L at 25℃
LogP: 2.68 at · 2.68 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 4건

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.