Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

HCID 73827CAS 1458-01-1

기본 정보

표준 SMILES: COC(=O)c1nc(Cl)c(N)nc1N
InChIKey: KOOBYHRLTYIPTH-UHFFFAOYSA-N
분자식: C6H7ClN4O2
평균 분자량: 202.6 g/mol
단동위원소 질량: 202.02575314

이름 및 식별자

우선 이름: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
IUPAC: methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
영어명: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
분자식: C6H7ClN4O2
분자량: 202.6

이름 및 동의어

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate3,5-Diamino-6-chloropyrazine-2-carboxylic Acid Methyl Ester2-PYRAZINECARBOXYLIC ACID, 3,5-DIAMINO-6-CHLORO-, METHYL ESTERUNII-4KAT2Q9CHL4KAT2Q9CHLMethyl 3,5-diamino-6-chloropyrazinecarboxylatePyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl esterEINECS 215-946-1DTXSID20163161AMILORIDE HYDROCHLORIDE IMPURITY A [EP IMPURITY]AMILORIDE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:157402

이름 더 보기

3,5-diamino-6-chLMethyl 3,5-diamino-6oropyrazine-2-carboxyLAmiloride EP Impurity AAmiloride impurity A CRSAmiloriderelatedcompoundAAmiloride USP Related Compound AAmiloride EP Impurity A(USP RC A)Methyl 3,5-Diamino-6-chloropyrazineMETHYL 3,5-DIAMINO-6-CHLOROPYRAZINE-2-C&

DTXCID60856521458-01-1MFCD01928388C6H7ClN4O2Methyl 3,5-diamino-6-chloro-2-pyrazinecarboxylatemethyl-3,5-diamino-6-chloropyrazine-2-carboxylateMETHYL 3, 5-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXYLATEMethyl3,5-diamino-6-chloropyrazine-2-carboxylate

데이터베이스 식별자

CAS: 1458-01-1
PubChem CID: 73827
DTXSID: DTXSID20163161
UNII: 4KAT2Q9CHL
EC Number: 215-946-1
Nikkaji: J298.643D

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 104 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 211 · 211-215 °C (lit.)
끓는 점: 449.9 · 449.9±40.0 °C(Predicted)
밀도: 1.555 · 1.555±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
물리적 상태: solid
산도 계수 (pKa): -0.1 · -0.10±0.10(Predicted)
색상: 밝은 갈색에서 갈색까지
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
InChI: InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)
InChIKey: KOOBYHRLTYIPTH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Cl)=C(N)N=C1N

화학적 성질

yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H315 (88.2%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.