2,4,6-Triaminopyrimidine (HCID 13863)

이름 및 식별자

우선 이름: 2,4,6-Triaminopyrimidine
IUPAC: pyrimidine-2,4,6-triamine
현지명: 2,4,6-트리아미노피리미딘
영어명: 2,4,6-Triaminopyrimidine
분자식: C4H7N5
분자량: 125.13

이름 및 동의어

2,4,6-Triaminopyrimidine1004-38-22,4,6-PYRIMIDINETRIAMINECHEBI:39857NSC-26493D6ZP6F2ECKDTXSID3061394RefChem:82075DTXCID5032527213-720-7pyrimidine-2,4,6-triaminePyrimidine-2,4,6-triyltriamine

이름 더 보기

2,4,6-트리아미노피리미딘2,4,6-트라이아미노피리미딘TRIAMINOPYRIMIDINEAKOS UB-202162,4,6-TriaminoIFLAB-BB F1918-00506-TriaMinopyriMidine2,4,6-Traminopyrimidne2,4,6-Triaminopyrimidin2,4,6-Triamino PyridinePyrimidin-2,4,6-triamin

MFCD00006100Pyrimidine, 2,4,6-triamino-CHEMBL571518Triamino pyrimidine2,4,6-Pyrimidinetriamine; Pyrimidine, 2,4,6-triamino- (6CI,7CI,8CI); 2,4,6-Triaminopyrimidine; NSC 26493; Pyrimidine-2,4,6-triamine3AYEINECS 213-720-7NSC 26493

데이터베이스 식별자

CAS: 1004-38-2
PubChem CID: 13863
DTXSID: DTXSID3061394
ChEMBL: CHEMBL571518
ChEBI: CHEBI:39857
UNII: D6ZP6F2ECK
EC Number: 213-720-7
Nikkaji: J146.967C

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 104 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

물리화학적 성질

녹는점: 249 · 249-251 °C (lit.)
끓는 점: 222.58 °C · 222.58°C (rough estimate)
밀도: 1.2938 · 1.2938 (rough estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.71 · 1.7100 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(Sparingly),Methanol(Slightly)
물리적 상태: 가루
산도 계수 (pKa): 6.84 · 6.84(at 20℃)
색상: 미색부터 베이지까지
수용성: 36.5 g/L · 36.5g/L(20℃)
BRN: 118448 · 118448
InChI: 1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N
SMILES: Nc1cc(N)nc(N)n1
LogP: -1.95 at · -1.95 at 25℃
EPA: 2 · 2,4,6-Pyrimidinetriamine (1004-38-2)

화학적 성질

OFF-WHITE TO BEIGE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (29.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (70%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 150 reports by companies from 6 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

Regulatory InformationStatus: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919

Hazard Classes and CategoriesSkin Irrit. 2 (30%)；Eye Irrit. 2 (30%)；STOT SE 3 (29.3%)；Aquatic Chronic 3 (70%)

규제 정보

Regulatory InformationStatus: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919

안전 데이터

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

화학 및 산업

용도 및 제조

General Manufacturing Information2,4,6-Pyrimidinetriamine: ACTIVE

응용 분야

용도2,4,6-Triaminopyrimidine is an organic cation used to block paracellular conductance pathways of several epithelia in the rat kidney, ultimately affecting sodium and potassium excretion.