Methyl 3-aminopyrazinecarboxylate (HCID 72669)

개요

Methyl 3-aminopyrazine-2-carboxylate is a pyrazine that is substituted by a methoxycarbonyl group at position 2 and an amino group at position 3. It is a methyl ester, an aromatic amine and a member of pyrazines.

이름 및 식별자

우선 이름: Methyl 3-aminopyrazinecarboxylate
IUPAC: methyl 3-aminopyrazine-2-carboxylate
영어명: Methyl 3-amino-2-pyrazinecarboxylate
분자식: C6H7N3O2
분자량: 153.14

이름 및 동의어

16298-03-6methyl 3-aminopyrazine-2-carboxylateMethyl 2-aminopyrazine-3-carboxylate3-Aminopyrazine-2-carboxylic Acid Methyl EsterMethyl 3-aminopyrazinecarboxylate2-Pyrazinecarboxylic acid, 3-amino-, methyl estermethyl 3-amino-2-pyrazine carboxylatePyrazinecarboxylic acid, 3-amino-, methyl esterNSC 123649B2B97688ND2-Amino-3-(methoxycarbonyl)pyrazineEINECS 240-387-5

이름 더 보기

AKOS 90402BUTTPARK 35\02-15TIMTEC-BB SBB004048Methyl 3-amino-2-pyr2-aMino-pyrazine-2-Methyl3-amino-2-pyrazinecarboxyL

NSC-1236493-aminopyrazinecarboxylic acid methyl esterCHEBI:145238DTXSID10167496EC 240-387-5PYRAZINOIC ACID, 3-AMINO-, METHYL ESTERRefChem:815268DTXCID0089987

데이터베이스 식별자

CAS: 16298-03-6
PubChem CID: 72669
DTXSID: DTXSID10167496
ChEMBL: CHEMBL1866348
ChEBI: CHEBI:145238
UNII: B2B97688ND
EC Number: 240-387-5
Nikkaji: J236.297J

물성

구조 계산 물성

XLogP: 0
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 169 · 169-172 °C (lit.)
끓는 점: 300.8 · 300.8±37.0 °C(Predicted)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): -0.3 · -0.30±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 노란색
BRN: 127495 · 127495
InChI: 1S/C6H7N3O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3,(H2,7,9)
InChIKey: INCSQLZZXBPATR-UHFFFAOYSA-N
SMILES: COC(=O)c1nccnc1N
LogP: 0.2 at · 0.2 at 20℃ and pH7
표면장력: 73.3 mN/m · 73.3mN/m at 1g/L and 20℃

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (58.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 12 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 06-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22882

Hazard Classes and CategoriesSkin Irrit. 2 (58.3%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26
위험 등급: IRRITANT
Hazard Classifications: Aquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 3-amino-2-pyrazinecarboxylate has been used in: synthesis of 2-arylpteridin-4-ones and piperazine-derived 2-furan-2-yl-[1,2,4]triazolo[1,5-a] pyrazinesreactions with isocyanates and aroyl chlorides for conversion to pteridinediones