3-아미노-1,2-벤젠디올

Catecholamine

HCID 189460

기본 정보

CAS: 117001-65-7
표준 SMILES: Nc1cccc(O)c1O
InChIKey: MGBKJKDRMRAZKC-UHFFFAOYSA-N
분자식: C6H7NO2
평균 분자량: 125.13 g/mol
단동위원소 질량: 125.04767846

개요

Catecholamine is a group of sympathetic amines containing a catechol group derived from the amino acid tyrosine. Catecholamines are hormones and neuromodulators synthesized in the chromaffin cells of the adrenal glands and the postganglionic fibers of the sympathetic nervous system in response to stress. Examples of catecholamines are epinephrine (adrenaline), norepinephrine (noradrenaline) and dopamine, all of which participate in a wide variety of functions throughout the body.

이름 및 식별자

우선 이름: Catecholamine
IUPAC: 3-aminobenzene-1,2-diol
현지명: 3-아미노-1,2-벤젠디올
영어명: 3-Amino-1,2-benzenediol
분자식: C6H7NO2
분자량: 125.13

이름 및 동의어

CatecholamineSympathinsSympathinRefChem:496664CHEBI:335673-aminobenzene-1,2-diol20734-66-13-amino-1,2-benzenediol3-aminocatechol117001-65-7Benzenediol, amino-MFCD14584779

이름 더 보기

3-아미노-1,2-벤젠디올3-Amino benzene-1,2-diol / 3-Amino catechol hydrochloride

1,2-Benzenediol, 3-amino-2,3-dihydroxyanilinePyrocatechol, 3-amino-Aminobenzenediol2,3-Dihydroxyaniline; 3-Aminocatechol; 3-Aminopyrocatechol3-aminopyrocatechol3-Aminopyrocatechol; 2,3-Dihydroxyaniline; 3-Amino-1,2-benzenediol;Brenzkatechinamine

데이터베이스 식별자

CAS: 117001-65-7、20734-66-1
PubChem CID: 189460
DTXSID: DTXSID60151663
UNII: LN92UE2TCY
EC Number: 870-398-6
Nikkaji: J801.894D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 66.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 142 · 142-145 °C
끓는 점: 297 · 297.0±25.0 °C(Predicted)
밀도: 1.412 · 1.412±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 5 mg/ml; · DMF: 5 mg/ml; DMSO: 5 mg/ml; Ethanol: 10 mg/ml; PBS (pH 7.2): 1 mg/ml
물리적 상태: 고체
산도 계수 (pKa): 9.59 · 9.59±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.