4-Methoxy-6-methylpyrimidin-2-amine (HCID 587236)

이름 및 식별자

우선 이름: 4-Methoxy-6-methylpyrimidin-2-amine
IUPAC: 4-methoxy-6-methylpyrimidin-2-amine
영어명: 2-Amino-4-methoxy-6-methylpyrimidine
분자식: C6H9N3O
분자량: 139.16

이름 및 동의어

4-methoxy-6-methylpyrimidin-2-amineRefChem:524635620-757-62-Amino-4-methoxy-6-methylpyrimidine7749-47-52-Amino-4-methyl-6-methoxypyrimidineMFCD000597682-Pyrimidinamine, 4-methoxy-6-methyl-4-methoxy-6-methylpyrimidine-2-ylamine4-Methoxy-6-methyl-2-pyrimidinamine4-methoxy-6-methylpyrimidine-2-aminePyrimidine, 2-amino-4-methoxy-6-methyl-

이름 더 보기

TIMTEC-BB SBB0067444-Methyl-6-methoxypyrimidine-2-amine2-Amino-4-methoxy-6-methylpyrimidine >2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE, 98 %

Oprea1_769683SCHEMBL754480orb3029284SCHEMBL1880465DTXSID90343074PDK03612amino-4-methyl-6-methoxypyrimidineSBB006744

데이터베이스 식별자

CAS: 7749-47-5
PubChem CID: 587236
DTXSID: DTXSID90343074
EC Number: 620-757-6
Nikkaji: J58.049J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 61 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 109

물리화학적 성질

녹는점: 156 · 156-158 °C (lit.)
끓는 점: 255.11 °C · 255.11°C (rough estimate)
밀도: 1.2081 · 1.2081 (rough estimate)
굴절률: 1.65 · 1.6500 (estimate)
저장 조건: 2 · 2-8°C, protect from light
용해도: 1 %, · 메탄올: 가용성 1%, 투명하거나 매우 약간 흐릿함, 무색 내지 노란색
물리적 상태: powder to crystal
산도 계수 (pKa): 6.38 · 6.38±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 121733 · 121733
InChI: 1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: SNWZXTZIZWBIDQ-UHFFFAOYSA-N
SMILES: COc1cc(C)nc(N)n1

화학적 성질

white to pinkish or light beige

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
F 고인화성물질: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Amino-4-methoxy-6-methylpyrimidine may be employed as nucleophile to investigate the regioselective introduction of some nucleophiles at the secondary position of Baylis-Hillman adducts. It may be used in the preparation of 2-amino-4-methoxy-6-methylpyrimidin-1-ium picrate.

일반 설명2-Amino-4-methoxy-6-methylpyrimidine (AMMP) is a pyrimidine derivative. It acts as electron donor and forms charge transfer complexes with iodine (σ-electron acceptor). The FTIR and FT-Raman spectra of 2-amino-4-methoxy-6-methylpyrimidine have been recorded to evaluate the energy, structural and thermodynamical parameters. Molecules of AMMP exhibit space group of Pnma and are joined by two N-H…N hydrogen bonds.