기본 정보
- CAS
2434-53-9- 표준 SMILES
Cn1c(N)cc(=O)[nH]c1=O- InChIKey
GZLZRPNUDBIQBM-UHFFFAOYSA-N- 분자식
- C5H7N3O2
- 평균 분자량
- 141.13 g/mol
- 단동위원소 질량
- 141.05382648
이름 및 식별자
- 우선 이름
- 6-Amino-1-methyluracil
- IUPAC
- 6-amino-1-methylpyrimidine-2,4-dione
- 영어명
- 6-Amino-1-methyluracil
- 분자식
- C5H7N3O2
- 분자량
- 141.13
이름 및 동의어
6-Amino-1-methyluracil2434-53-9EINECS 219-422-3DTXSID30179076NSC 7369RefChem:540098DTXCID60101567219-422-36-amino-1-methylpyrimidine-2,4(1H,3H)-dione6-amino-1-methylpyrimidine-2,4-dioneMFCD000753666-amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
이름 더 보기
Linaint-BCompound 1530-0259Valine Impurity 166-AMINO-1-METHYLURACILABOTEST-BB LT000806474-AMINO-3-METHYLURACILLigagliptin Impurity 66
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-1-methyl-6-Aminouracil6-amino-1-methyl-1,3-dihydropyrimidine-2,4-dioneNSC73696-Amino-1-methyl-2,4-pyrimidinedione; 1-Methyl-6-aminouracil; 6-Amino-1-methyl-1H-pyrimidine-2,4-dione; 6-Amino-1-methyluracil; NSC 7369;6-amino-1-methyl-pyrimidine-2,4-dione6-Amino-1-methyl-1H-pyrimidine-2,4-dione6-Amino-1-methyluridine
데이터베이스 식별자
- CAS
2434-53-9- PubChem CID
- 75520
- DTXSID
DTXSID30179076- ChEMBL
CHEMBL89725- EC Number
- 219-422-3
- Nikkaji
- J216.075G
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 75.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 221
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 밀도
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 희석된 수산화나트륨 용액에 용해됩니다.
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 9.26 · 9.26±0.40(Predicted)
- 색상
- 흰색에서 거의 흰색
- BRN
- 127771 · 127771
- InChI
- InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
- InChIKey
- GZLZRPNUDBIQBM-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C(N)=CC(=O)N1
화학적 성질
almost white to slightly beige crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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 46 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 CategoriesAcute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
안전 데이터
- wgk
- 3
- HS 번호
- 29335990
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도6-Amino-1-methyluracil is known to exert inhibitory effects towards DNA repair glycosylase. It is also known to be used as a flame retardant.
일반 설명6-Amino-1-methyluracil is an amino derivative of uracil and its standard molar enthalpy of combustion has been evaluated. Host-guest complexation of 6-amino-1-methyluracil with tetrapropoxycalix[4]arene has been reported.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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]
爱斯特（成都）生物制药股份有限公司
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