2-Amino-4,6-dimethyl pyrimidine (HCID 13021)

개요

2-Amino-4,6-dimethylpyrimidine is an aminopyrimidine.

이름 및 식별자

우선 이름: 2-Amino-4,6-dimethyl pyrimidine
IUPAC: 4,6-dimethylpyrimidin-2-amine
영어명: 2-Amino-4,6-dimethylpyrimidine
분자식: C6H9N3
분자량: 123.16

이름 및 동의어

2-amino-4,6-dimethyl pyrimidineRefChem:4640222-ADMP2-AMINO-4,6-DIMETHYLPYRIMIDINE767-15-74,6-dimethylpyrimidin-2-amine4,6-Dimethyl-2-pyrimidinamineAcetylacetoneguanidine2-Pyrimidinamine, 4,6-dimethyl-4,6-dimethyl-2-aminopyrimidinePyrimidine, 2-amino-4,6-dimethyl-4,6-Dimethylpyrimidin-2-ylamine

이름 더 보기

ADLPinx-993AKOS MSC-0099TIMTEC-BB SBB0042752-Amino-4,6-dimethyl6-diMethylpyriMidinecetylacetoneguanidine

NSC 3278MFCD000061022-Amine-4,6-dimethylpyrimidine4,6-Dimethyl-pyrimidin-2-ylamineCHEMBL45468362-amino-4,6-dimethyl-pyrimidine4S48MI253MNSC-3278

데이터베이스 식별자

CAS: 767-15-7
PubChem CID: 13021
DTXSID: DTXSID8052510
ChEMBL: CHEMBL4546836
ChEBI: CHEBI:181699
UNII: 4S48MI253M
EC Number: 212-181-5
Nikkaji: J96E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 84.3

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Collision Cross Section123.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8052510]

물리화학적 성질

녹는점: 151 · 151-153 °C (lit.)
끓는 점: 219.27 °C · 219.27°C (rough estimate)
밀도: 1.1097 · 1.1097 (rough estimate)
굴절률: 1.5589 · 1.5589 (estimate)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 5.11 · 5.11±0.10(Predicted)
색상: 흰색에서 베이지색
BRN: 110735 · 110735
InChI: 1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N
SMILES: Cc1cc(C)nc(N)n1
NIST: 2 · 2-Pyrimidinamine, 4,6-dimethyl-(767-15-7)
EPA: 2 · 2-Amino-4,6-dimethylpyrimidine (767-15-7)

화학적 성질

White Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 2-Pyrimidinamine, 4,6-dimethyl-

Hazard Classes and CategoriesAcute Tox. 4 (86.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UV6260496
HS 번호: 29335995
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 37/39-26
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use Classification · 2건

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Transformation products

General Manufacturing Information2-Pyrimidinamine, 4,6-dimethyl-: ACTIVE

상·하류 제품 정보

상류 원료

2,4-펜탄디온 탄산 칼륨 구아니딘 나이트레이트 Isoxazole, 3-methyl-5-[(trimethylsilyl)methyl]-5-하이드록시설파디미딘 guanidine 2-Amino-4-chloro-6-methylpyrimidine 설파메타진 guanidine N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine 4-아미노-3-펜텐-2-원 페놀

하류 제품

2-Amino-4,6-dimethyl-5-iodopyrimidine

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

연결된 노트

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2-Amino-4,6-dimethyl pyrimidine

기본 정보

개요