1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride

HCID 3015704

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 34715-64-5
표준 SMILES: CC(C)(C)NCC(=O)c1ccc(O)c(O)c1.Cl
InChIKey: JQQYYKZPHGWVCC-UHFFFAOYSA-N
분자식: C12H18ClNO3
평균 분자량: 259.73 g/mol
단동위원소 질량: 259.09752112

이름 및 식별자

우선 이름: 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride
IUPAC: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
영어명: 1-(3,4-dihydroxyphenyl)-2-[(1,1-dimethylethyl)amino]ethan-1-one hydrochloride
분자식: C12H18ClNO3
분자량: 259.72922

이름 및 동의어

AYX3SB2J3Z1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochlorideEINECS 252-166-0DTXSID601882723,4-dihydroxyphenyl N-(tert-butyl)aminomethyl ketone hydrochloride1-(3,4-DIHYDROXYPHENYL)-2-[(1,1-DIMETHYLETHYL)AMINO]ETHAN-1-ONE HYDROCHLORIDEETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-, HYDROCHLORIDEETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-, HYDROCHLORIDE (1:1)Ethanone, 1-(3,4-dihydroxyphenyl)-2-[(1,1-dimethylethyl)amino]-, hydrochloride (1:1)RefChem:74234DTXCID90110763252-166-0

이름 더 보기

34715-64-5UNII-AYX3SB2J3ZSCHEMBL10897263SCHEMBL31419992NS000550723,4-dihydroxyphenyl tert-butylaminomethyl ketone hydrochloride2-(tert-Butylamino)-1-(3,4-dihydroxyphenyl)ethan-1-one--hydrogen chloride (1/1)

데이터베이스 식별자

CAS: 34715-64-5
PubChem CID: 3015704
DTXSID: DTXSID60188272
UNII: AYX3SB2J3Z
EC Number: 252-166-0

물성

구조 계산 물성

극성 표면적: 69.6 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 233 · 233–235°C

화학 및 산업

제조 방법

Obtained by condensation of a-chloro-3,4-dihydroxy-acetophenone with tert-butylamine in dioxane at 60–80°. The amino ketone base which separated was treated with concentrated hydrochloric acid.