CAS 3177-80-8 2-Amino-3-methoxybenzoic acid (HCID 255720)

개요

3-methoxyanthranilic acid is an aminobenzoic acid that is anthranilic acid in which the hydrogen at position 3 is substituted by a methoxy group. It is a metabolite of kynurenine. It has a role as a mammalian metabolite. It is an aminobenzoic acid and a member of benzoic acids. It is functionally related to an anthranilic acid. It is a conjugate acid of a 3-methoxyanthranilate.

이름 및 식별자

우선 이름: 2-Amino-3-methoxybenzoic acid
IUPAC: 2-amino-3-methoxybenzoic acid
영어명: 2-Amino-3-methoxybenzoic acid
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

2-Amino-3-methoxybenzoic acid3177-80-83-Methoxyanthranilic acidCHEBI:27440DTXSID60292303RefChem:85131DTXCID50243445628-700-7InChI=1/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11Benzoic acid, 2-amino-3-methoxy-m-Anisic acid, 2-amino-MFCD00075178

이름 더 보기

3-methoxyantharanilic acidO-ANISIDINE-6-CARBOXYLIC ACIDFluoroestradiol Impurity 12-18F2-AMino-3-Methoxybenzoic acid 98%

2-Amino-m-anisic Acid2-amino-3-methoxy-benzoic acid3-Methoxy-2-aminobenzoic acid2-azanyl-3-methoxy-benzoic acid3-methoxy-anthranilic acidHU74W6CCX94-ETHYL PROPIOPHENONE2-Amino-3-(methyloxy)benzoic acid

데이터베이스 식별자

CAS: 3177-80-8
PubChem CID: 255720
DTXSID: DTXSID60292303
ChEBI: CHEBI:27440
UNII: HU74W6CCX9
EC Number: 628-700-7
Nikkaji: J516.182G

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 169 · 169-170 °C (lit.)
끓는 점: 333.9 · 333.9±27.0 °C(Predicted)
밀도: 1.303 · 1.303±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 4.82 · 4.82±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 노란색, 갈색으로
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey: SXOPCLUOUFQBJV-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC(OC)=C1N

화학적 성질

White to light brown crystals or powder

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzoic acid, 2-amino-3-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29225090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Amino-3-methoxybenzoic Acid is used in the preparation of CDK1/cyclin B inhibitors for application towards antitumor treatment. In addition, it is used in the synthesis of Alogliptin, an inhibitor o f dipeptidy peptidase, which aids in the lowering of blood-glucose for potential treatment of diabetes.