3-디메틸아미노안식향산

3-(Dimethylamino)benzoic acid

HCID 66837CAS 99-64-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CN(C)c1cccc(C(=O)O)c1
InChIKey
NEGFNJRAUMCZMY-UHFFFAOYSA-N
분자식
C9H11NO2
평균 분자량
165.19 g/mol
단동위원소 질량
165.07897859

이름 및 식별자

우선 이름
3-(Dimethylamino)benzoic acid
IUPAC
3-(dimethylamino)benzoic acid
현지명
3-디메틸아미노안식향산
영어명
3-(Dimethylamino)benzoic acid
분자식
C9H11NO2
분자량
165.19

이름 및 동의어

3-(Dimethylamino)benzoic acid99-64-93-Dimethylaminobenzoic acidBenzoic acid, 3-(dimethylamino)-m-(Dimethylamino)benzoic acidN,N-Dimethyl-m-aminobenzoic acidBenzoic acid, m-(dimethylamino)-NSC-7197M47AQ3FS7EDTXSID7059199RefChem:926333-DMAB
이름 더 보기
3-디메틸아미노안식향산3-(디메틸아미노)벤조산3-(Dimethylamino)ben3-DimethylaminobenzoicM-dimetylaminobenzoic acidDiMethyl aMinobenzoic acid3-Diaminomethylbenzoic acidTwoMethyl aMinobenzoic acid3-DIMETHYLAMINO-BENZOESAEURE3-(N,N-Dimethylamino)benzoic
DTXCID0049109202-775-2MFCD000024973-(dimethylamino) benzoic acid3-N,N-Dimethylaminobenzoic acidm-DIMETHYLAMINOBENZOIC ACID3-dimethylamino benzoic acid3-(Dimethylamino)benzoicAcid

데이터베이스 식별자

CAS
99-64-9
PubChem CID
66837
DTXSID
DTXSID7059199
ChEMBL
CHEMBL111877
UNII
M47AQ3FS7E
EC Number
202-775-2
Nikkaji
J37.726K

물성

구조 계산 물성

XLogP
1.6
극성 표면적
40.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Ionization Efficiency · 6건

Positive

2.48

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점
148 · 148-150 °C(lit.)
끓는 점
293.03 °C · 293.03°C (rough estimate)
밀도
1.1603 · 1.1603 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
50 mg/mL, · methanol: 50mg/mL, clear to very slightly hazy, yellow to brown

화학적 성질

Light yellow to yellow-beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationBenzoic acid, 3-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See m-Aminobenzoic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

규제 정보

Regulatory InformationBenzoic acid, 3-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29224995
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-24/25

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 3-(dimethylamino)-: INACTIVE

응용 분야

용도3-(Dimethylamino)benzoic acid has been used to analyse glucose content from the extraction of starch and soluble sugars.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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