티민-1-아세트산

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

HCID 853753CAS 20924-05-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIKey: TZDMCKHDYUDRMB-UHFFFAOYSA-N
분자식: C7H8N2O4
평균 분자량: 184.15 g/mol
단동위원소 질량: 184.04840674

이름 및 식별자

우선 이름: 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
IUPAC: 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
현지명: 티민-1-아세트산
영어명: THYMINE-1-ACETIC ACID
분자식: C7H8N2O4
분자량: 184.15

이름 및 동의어

2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acidRefChem:458934629-059-620924-05-4Thymine-1-acetic acid2-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)acetic acid1-(carboxymethyl)thymine2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid1(2H)-Pyrimidineacetic acid, 3,4-dihydro-5-methyl-2,4-dioxo-MFCD00274250N1-thyminyl acetic acid

이름 더 보기

티민-1-아세트산티민-1-아세틱산1-Thyminylacetic acidT Acetic acidThymine acetic acidthymidyl acetic acidThymine-N1-acetic acidThymin-1-ylacetic acidNucleobase-T Acetic acid

(thymin-1-yl)-acetic acidDTXSID80357488A815021SY0192752-[5-METHYL-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]ACETIC ACID(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid1-carboxymethylthymine2-(5-methyl-2,4-dioxo-1,3-dihydropyrimidinyl)acetic acid

데이터베이스 식별자

CAS: 20924-05-4
PubChem CID: 853753
DTXSID: DTXSID80357488
EC Number: 629-059-6
Nikkaji: J607.795A

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 86.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 308

물리화학적 성질

녹는점: 272 · 272-278 °C (dec.) (lit.)
밀도: 1.416 · 1.416
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 3.81 · 3.81±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKey: TZDMCKHDYUDRMB-UHFFFAOYSA-N
SMILES: C1(=O)N(CC(O)=O)C=C(C)C(=O)N1

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 41 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
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate 티민-아세트산tert-부틸에스테르 methyl (5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)ethanoate 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one 2-(4-{[(benzyloxy)carbonyl]amino}-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid 브로모아세트산 티민 수산화칼륨 에틸브로모아세트산 클로로아세트산

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

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