CAS 898-22-6 2,4,6-Triethyl 1,3,5-triazine-2,4,6-tricarboxylate (HCID 13478)

기본 정보

CAS: 898-22-6
표준 SMILES: CCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1
InChIKey: LKNPNZKIOSOWES-UHFFFAOYSA-N
분자식: C12H15N3O6
평균 분자량: 297.26 g/mol
단동위원소 질량: 297.0960852

이름 및 식별자

우선 이름: 2,4,6-Triethyl 1,3,5-triazine-2,4,6-tricarboxylate
IUPAC: triethyl 1,3,5-triazine-2,4,6-tricarboxylate
현지명: 트리에틸 1,3,5-트리아진-2,4,6-트리카복실레이트
영어명: Triethyl 1 3 5-triazine-2 4 6-tricarbox&
분자식: C12H15N3O6
분자량: 297.26

이름 및 동의어

2,4,6-triethyl 1,3,5-triazine-2,4,6-tricarboxylateRefChem:442900844-841-9Triethyl 1,3,5-triazine-2,4,6-tricarboxylate898-22-6MFCD01419268C12H15N3O62,4,6-Triethoxycarbonyl-1,3,5-triazinetriethyl-1,3,5-triazine-2,4,6-tricarboxylateSCHEMBL352579CHEMBL49916801,3,5-Triazine-2,4,6-tricarboxylic acid, triethyl ester

이름 더 보기

트리에틸1,3,5-트리아진-2,4,6-트리카복실레이트Triethyl 1 3 5-triazine-2 4 6-tricarbox&Triethyl 1,3,5-triazine-2,4,6-tricarboxylate 97%s-triazine-2,4,6-tricarboxylic acid triethyl ester1,3,5-Triazine-2,4,6-tricarboxylic acid, 2,4,6-triethyl ester

DTXSID30274530LKNPNZKIOSOWES-UHFFFAOYSA-NAAA898222,4,6-Triethoxycarbonyl-s-triazineSBB078317STK540195AKOS001325045SB73709

데이터베이스 식별자

CAS: 898-22-6
PubChem CID: 13478
DTXSID

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 118 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 9
무거운 원자 수: 21
형식 전하: 0
복잡도: 320

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: 170 · 170-174 °C(lit.)
끓는 점: 451.1 · 451.1±28.0 °C(Predicted)
밀도: 1.279 · 1.279±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): -3.35 · -3.35±0.10(Predicted)
InChI: InChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3
InChIKey: LKNPNZKIOSOWES-UHFFFAOYSA-N
SMILES: N1=C(C(OCC)=O)N=C(C(OCC)=O)N=C1C(OCC)=O

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.