CAS 80798-52-3 5,6-Diamino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (HCID 21916360)

基本情報

CAS: 80798-52-3
標準SMILES: CCn1c(N)c(N)c(=O)[nH]c1=O
InChIKey: HEXZSEOAILCDMD-UHFFFAOYSA-N
分子式: C6H10N4O2
平均分子量: 170.17 g/mol

名称と識別子

優先名称: 5,6-Diamino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC: 5,6-diamino-1-ethylpyrimidine-2,4-dione
英語名: 5,6-diamino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
分子式: C6H10N4O2
分子量: 170.17

名称と別名

80798-52-35,6-diamino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:527955994-086-55,6-diamino-1-ethyl-2,4(1H,3H)-pyrimidinedione5,6-diamino-1-ethyl-pyrimidine-2,4-dioneSCHEMBL1546553SCHEMBL6014095HEXZSEOAILCDMD-UHFFFAOYSA-NFDA79852AKOS010144305DB-139313

名称をさらに表示

2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1-ethyl-

EN300-629315,6-diamino-1-ethyl-1H-pyrimidine-2,4-dione5,6-diamino-1-ethyl-2,4-(1h,3h)-pyrimidinedione5,6-Diamino-1-ethylpyrimidine-2,4(1H,3H)-dione5,6-diamino-1-ethyl-1,3-dihydropyrimidine-2,4-dione

データベース識別子

CAS: 80798-52-3
PubChem CID: 21916360
EC Number: 994-086-5

物性

構造計算による物性

XLogP: -1.4
極性表面積: 101 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 271

物理化学的性質

融点: 270 °C · 270 °C (decomp)
比重(密度): 1.323 · 1.323±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.15 · 9.15±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.