4-하이드록시벤질아민

4-Hydroxybenzylamine

HCID 97472CAS 696-60-6

기본 정보

표준 SMILES
NCc1ccc(O)cc1
InChIKey
RQJDUEKERVZLLU-UHFFFAOYSA-N
분자식
C7H9NO
평균 분자량
123.15 g/mol
단동위원소 질량
123.06841391

개요

4-Hydroxybenzylamine is an aromatic amine.

이름 및 식별자

우선 이름
4-Hydroxybenzylamine
IUPAC
4-(aminomethyl)phenol
현지명
4-하이드록시벤질아민
영어명
4-Hydroxybenzylamine
분자식
C7H9NO
분자량
123.15

이름 및 동의어

4-Hydroxybenzylamine4-(aminomethyl)phenol696-60-6para-HydroxybenzylaminePhenol, 4-(aminomethyl)-NSC-1257207J7F85B7BIDTXSID00219872RefChem:99287DTXCID50142363671-027-94-Aminomethyl-phenol
이름 더 보기
4-하이드록시벤질아민AI320348AI3 20348AI3-20348NSC 125720RARECHEM AL BW 0048Bisoprolol Impurity 26
4-hydroxybenzyl amineMFCD008704994-(Aminomethyl)-Phenol4-HOBAp-hydroxybenzylamineP-(AMINOMETHYL)PHENOSCHEMBL63123CHEMBL202519

데이터베이스 식별자

CAS
696-60-6
PubChem CID
97472
DTXSID
DTXSID00219872
ChEMBL
CHEMBL202519
ChEBI
CHEBI:173335
UNII
7J7F85B7BI
EC Number
671-027-9
Nikkaji
J765.581I

물성

구조 계산 물성

XLogP
0
극성 표면적
46.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Melting Point114 - 115 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
123 · 123-128 °C
끓는 점
262.4 · 262.4±15.0 °C(Predicted)
밀도
1.141 · 1.141±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
DMSO(약간 용해됨), 물(약간 용해됨, 가열)
산도 계수 (pKa)
8.93 · 8.93±0.26(Predicted)
화학적 성질 · 1건

4-Hydroxybenzylamine, also known as tyramine and p-hydroxyphenethylamine, is a white or off-white or light green solid. Tyramine, a compound originally isolated from ergot alkaloids and decomposed animal tissues, is an important synthetic drug intermediate.

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 48 reports by companies from 10 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
ridadr
2735
HS 번호
29214990
risk_code
34-36/37/38
hazard_code
Xi
safety_code
26-36/37/39-24/25

화학 및 산업

약리 정보

Cellular LocationsCytoplasm
응용 분야 · 2건

개요4-HOBA is an isomer of the isoketal scavenger 2-HOBA that has reduced efficacy as an isoketal scavenger. Unlike 2-HOBA, 4-HOBA has no effect on hypertension induced by angiotensin II in mice. 4-HOBA has been used as a negative control for the activity of 2-HOBA and related compounds in a mouse model of hypertension.

용도4-Hydroxybenzylamine (cas# 696-60-6) is a compound useful in organic synthesis.

제조 방법 · 1건

Synthesis of 4-Hydroxybenzylamine:Ammonia is passed into 500 ml of ethanol at 10° C. until saturation is reached, 122.1 g=1 mole of p-hydroxybenzaldehyde, 20 g of Raney nickel and 0.1 ml of concentrated sulfuric acid are added and the mixture is stirred in an autoclave for 6 hours at room temperature and under a hydrogen pressure of 100 atmospheres. After releasing the pressure, the catalyst is filtered off and the filtrate is boiled up with active charcoal, filtered and concentrated. The residue is recrystallized from a mixture of ethanol and ether. This gives 104 g (85% of theory), melting point: 104° C.Literature source US04391805

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]

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