2,6-Dimethoxy-4-aminopyrimidine

HCID 76789CAS 3289-50-7

기본 정보

표준 SMILES: COc1cc(N)nc(OC)n1
InChIKey: LNTJJKHTAZFVJJ-UHFFFAOYSA-N
분자식: C6H9N3O2
평균 분자량: 155.15 g/mol
단동위원소 질량: 155.06947653

이름 및 식별자

우선 이름: 2,6-Dimethoxy-4-aminopyrimidine
IUPAC: 2,6-dimethoxypyrimidin-4-amine
영어명: 4-Amino-2,6-dimethoxypyrimidine
분자식: C6H9N3O2
분자량: 155.15

이름 및 동의어

4-Amino-2,6-dimethoxypyrimidine3289-50-72,6-Dimethoxypyrimidin-4-amine4-Pyrimidinamine, 2,6-dimethoxy-6-Amino-2,4-dimethoxypyrimidine2,6-Dimethoxy-4-pyrimidinamine2,6-Dimethoxy-4-aminopyrimidinePyrimidine, 4-amino-2,6-dimethoxy-LSF4SEX5LPEINECS 221-946-2NSC 166290NSC-166290

이름 더 보기

I4-AMino-2,6-DiMethoxy PyriMidine4-Amino-2,6-dimethoxy2,6-dimethoxy-4-pyrimidinamin2,6-dimethoxypyrimidin-4-aminSulfadimethoxine EP Impurity A4-amino-2,6-dlmethoxypyrimidine4-Amino-4,6-dimethoxypyrimidine

DTXSID2062959(2,6-DIMETHOXYPYRIMIDIN-4-YL)AMINESULFADIMETHOXINE IMPURITY A [EP IMPURITY]SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY A [EP IMPURITY]SULFADIMETHOXINE IMPURITY A (EP IMPURITY)SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY A (EP IMPURITY)RefChem:445615DTXCID2038601

데이터베이스 식별자

CAS: 3289-50-7
PubChem CID: 76789
DTXSID: DTXSID2062959
UNII: LSF4SEX5LP
EC Number: 221-946-2
Nikkaji: J38.378C

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 70.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 122

물리화학적 성질

녹는점: 149 · 149-152 °C (lit.)
끓는 점: 340.1 · 340.1±45.0 °C(Predicted)
밀도: 1.229 · 1.229±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 25 mg/mL, · 메탄올: 용해성25mg/mL, 투명, 무색~노란색
산도 계수 (pKa): 3.35 · 3.35±0.10(Predicted)
물리적 상태: 수정 같은
색상: 하얀색
InChI: InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKey: LNTJJKHTAZFVJJ-UHFFFAOYSA-N
SMILES: C1(OC)=NC(OC)=CC(N)=N1
EPA: 4 · 4-Pyrimidinamine, 2,6-dimethoxy- (3289-50-7)

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 68 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
기존화학 물질: KE-11027
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information4-Pyrimidinamine, 2,6-dimethoxy-: INACTIVE

응용 분야 · 1건

일반 설명4-Amino-2,6-dimethoxypyrimidine is methoxy substituted 4-aminopyrimidine. Molecules of 4-amino-2,6-dimethoxypyrimidine are linked by an N-H.O hydrogen bond and an N-H.N hydrogen bond, forming sheets containing centrosymmetric rings. Photocatalytic degradation of 4-amino-2,6-dimethoxypyrimidine on TiO2 has been reported. Mass spectra of 4-amino-2,6-dimethoxypyrimidine has been studied.