Methyl 2-aminopyridine-4-carboxylate

HCID 236984CAS 6937-03-7

기본 정보

표준 SMILES: COC(=O)c1ccnc(N)c1
InChIKey: SVWWNEYBEFASMP-UHFFFAOYSA-N
분자식: C7H8N2O2
평균 분자량: 152.15 g/mol
단동위원소 질량: 152.0585775

이름 및 식별자

우선 이름: Methyl 2-aminopyridine-4-carboxylate
IUPAC: methyl 2-aminopyridine-4-carboxylate
영어명: Methyl 2-aminopyridine-4-carboxylate
분자식: C7H8N2O2
분자량: 152.15

이름 및 동의어

Methyl 2-aminopyridine-4-carboxylateDTXSID00284984RefChem:814117DTXCID50236135627-546-8methyl 2-aminoisonicotinate6937-03-72-Aminopyridine-4-carboxylic acid methyl esterMFCD04039316methyl 2-azanylpyridine-4-carboxylateMethyl2-Aminoisonicotinate2-Aminoisonicotinic Acid Methyl Ester

이름 더 보기

NSC 40138Methyl 2-aMinopyCHEMBRDG-BB 40151272-aminopyridine-4-carboxyL2- aMinoMethyl isonicotinateMethyl2-Aminoisonicotinate>Methyl 2-aminoisonicotinate 98%Methyl 2-aminoisonicotinate, 98%

Methyl-2-aminoisonicotinate2-amino-4-pyridinecarboxylic acid methylester2-Amino-4-pyridinecarboxylic Acid Methyl Ester; 2-Aminoisonicotinic Acid Methyl Ester; Methyl 2-Amino-4-pyridinecarboxylate; NSC 40138;Methyl2-aminopyridine-4-carboxylateNSC401382-AMINO-4-PYRIDINECARBOXYLIC ACID METHYL ESTER4-PYRIDINECARBOXYLIC ACID, 2-AMINO-, METHYL ESTERMETHYL-2-AMINOPYRIDINE-4-CARBOXYLATE

데이터베이스 식별자

CAS: 6937-03-7
PubChem CID: 236984
DTXSID: DTXSID00284984
EC Number: 627-546-8
Nikkaji: J81.302H

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 144 · 144-148 °C
끓는 점: 296.1 · 296.1±20.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
산도 계수 (pKa): 4.89 · 4.89±0.11(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 갈색으로
수용성: 물에 불용성.
BRN: 128642 · 128642
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
InChIKey: SVWWNEYBEFASMP-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C(OC)=O)=C1

화학적 성질

Tan Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (17%)

안전 데이터

wgk: WGK 2
HS 번호: 29333990
risk_code: 36/37/38-41-20/22
hazard_code: Xi
safety_code: 26-36-26/36-39-36/37/39-22
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 2-aminopyridine-4-carboxylate is an inhibitor of nitrogen monoxide synthetase.

상·하류 제품 정보

상류 원료

하류 제품

TERT-BUTYL 4-(HYDROXYMETHYL)PYRIDIN-2-YLCARBAMATE TERT-BUTYL 4-(AMINOMETHYL)PYRIDIN-2-YLCARBAMATE (2-TERT-BUTOXYFORMAMIDO-PYRIDIN-4-YL)METHYL METHANESULFONATE TERT-BUTYL 4-(METHOXYCARBONYL)PYRIDIN-2-YLCARBAMATE 메틸2-a미노-5-클로로피리딘-4-카복실레이트 2-(2-Amino-4-pyridyl)-2-propanol 1-(2-아미노피리딘4-YL)-에타논 2-페닐-이미다조[1,2-A]피리딘-7-카르복실산메틸에스테르

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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