기본 정보
- 표준 SMILES
Cl.NCC(=O)c1ccc(O)c(O)c1- InChIKey
ILTXTELYZNIJHL-UHFFFAOYSA-N- 분자식
- C8H10ClNO3
- 평균 분자량
- 203.62 g/mol
- 단동위원소 질량
- 203.03492086
이름 및 식별자
- 우선 이름
- Noradenalone hydrochloride
- IUPAC
- 2-amino-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
- 현지명
- 3,4-디히드록시-α-아미노아세토페논염산염
- 영어명
- 3,4-dihydroxy-α-aminoacetophenone hydrochloride
- 분자식
- C8H10ClNO3
- 분자량
- 203.6229
이름 및 동의어
5090-29-9Noradenalone hydrochlorideDTXSID30198929RefChem:1092569DTXCID401214202-Amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride2-amino-1-(3,4-dihydroxyphenyl)ethanone,hydrochloride2-Amino-1-(3,4-dihydroxyphenyl)ethan-1-one hydrochlorideEthanone, 2-amino-1-(3,4-dihydroxyphenyl)-, hydrochloride2-amino-1-(3,4-dihydroxyphenyl)ethanone;hydrochlorideMFCD005226922-Amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride (Noradrenaline Impurity)
이름 더 보기
3,4-디히드록시-α-아미노아세토페논염산염Noradrenalone HydrochlorideNoradrenalone HClNORADRENALINE IMPURITY BNorepinephrine Impurity 1Carbazochrome Impurity 23NORADRENALONE HYDROCHLORIDYLNoradrenaline EP Impurity B HClSodium carbalosulfonate impurity 23
Noradrenalone-d5 HydrochlorideNorepinephrine EP Impurity B HClNorepinephrine EPImpurityB3,4-dihydroxy-|A-aminoacetophenone hydrochlorideorb3181224SCHEMBL7146837SCHEMBL31534576FAA09029
데이터베이스 식별자
- CAS
5090-29-9- PubChem CID
- 199831
- DTXSID
DTXSID30198929
물성
구조 계산 물성
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 172
물리화학적 성질
- 녹는점
- 255 °C · 255 °C
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨, 가열), 물(매우 약간, 가열)
- 물리적 상태
- 고체
- 색상
- 진한 노란색에서 진한 갈색까지
- InChI
- InChI=1S/C8H9NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,10-11H,4,9H2;1H
- InChIKey
- ILTXTELYZNIJHL-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(O)C(O)=C1)CN.[H]Cl
화학 및 산업
응용 분야
용도Noradrenalone Hydrochloride is an intermediate of Norepinephrine (N674500), an antagonist of dibutyryl cyclic AMP in the regulation of narcosis. Norepinephrine modulates human dendritic cell activation by altering cytokine release.
제조 방법
Preparation by demethylation of a-amino-3,4-dimethoxy-acetophenone on heating with 37% hydrochloric acid for 2.5 h at 160–165° under carbon dioxide (85%).
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