4-(Dimethylamino)benzoic acid (HCID 12092)

이름 및 식별자

우선 이름: 4-(Dimethylamino)benzoic acid
IUPAC: 4-(dimethylamino)benzoic acid
현지명: 4-다이메틸아미노벤조산
영어명: 4-Dimethylaminobenzoic acid
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

4-DIMETHYLAMINOBENZOIC ACID4-(Dimethylamino)benzoic acid619-84-1Benzoic acid, 4-(dimethylamino)-N,N-Dimethyl-p-aminobenzoic acidN,N-Dimethyl-4-aminobenzoic acidBenzoic acid, p-(dimethylamino)-p-Dimethylaminobenzoic acidp-N,N-(Dimethylamino)benzoic acidp-Dimethylamino benzoic acidD1MA908EV0NSC-16596

이름 더 보기

4-다이메틸아미노벤조산4-다이메틸아미노벤조산(4-DIMETHYLAMINOBENZOICACID)4-Diaminomethylbenzoic acidLR-78Solarchem OAKOS BBS-00003737RARECHEM AL BO 0056-Dimethylaminobenzoicacidp-(dimethylamino)-benzoicaci4-(dimethylamino)-benzoicaci

DTXSID70607084EDMABRefChem:515966para-dimethylaminobenzoic acidDTXCID0043181210-615-8p-(Dimethylamino)benzoic acidMFCD00002537

데이터베이스 식별자

CAS: 619-84-1
PubChem CID: 12092
DTXSID: DTXSID7060708
ChEMBL: CHEMBL112322
UNII: D1MA908EV0
EC Number: 210-615-8
Nikkaji: J26.944A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.000625 [mmHg]

Physical DescriptionSolid; [Merck Index] Off-white odorless powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 241 · 241-243 °C (dec.)(lit.)
끓는 점: 117 · 117-118 C
밀도: 1 · 1,04 g/cm
굴절률: 1 · 1,3715
인화점: 170 °C · 170 °C
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 6.03 · 6.03, 11.49(at 25℃)
색상: 흰색, 베이지색에서 회녹색까지
수용성: 물에 불용성.
Merck: 14 · 14,3232
BRN: 386867 · 386867
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용: 펩타이드 합성
InChI: 1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey: YDIYEOMDOWUDTJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(O)=O
NIST: 4 · Benzoic acid, 4-(dimethylamino)-(619-84-1)
EPA: 4 · Benzoic acid, 4-(dimethylamino)- (619-84-1)

화학적 성질

4-Dimethylaminobenzoic acid is light grey powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 70% (105 of 150) of all reports.

Warning

H315 (30%): 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 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 09-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30830

Benzoic acid, 4-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A mild skin irritant; [Alfa Aesar MSDS] See Padimate O.

Hazard Classes and CategoriesSkin Irrit. 2 (30%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DG8735000
HS 번호: 29224995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: KE-11129
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

UsesEsters are used as sunscreens; [Merck Index]

General Manufacturing InformationBenzoic acid, 4-(dimethylamino)-: ACTIVE

응용 분야 · 1건

용도4-Dimethylaminobenzoic acid a substituted benzoic acid that acts as an inhibitor of ultraviolet mediated damage to skin. It is a biotransformation product of 2-ethylhexyl 4- (N,N-dimethylaminobenzo)benzoate(EDP), a widely used UV filters in sunscreen cosmetics and other cosmetic products.