Dimethyl-1,3,5-triazin-2-amine

HCID 15820CAS 1853-90-3

基本情報

標準SMILES: Cc1nc(C)nc(N)n1
InChIKey: VQZRXBOTCNWNLM-UHFFFAOYSA-N
分子式: C5H8N4
平均分子量: 124.14 g/mol

名称と識別子

優先名称: Dimethyl-1,3,5-triazin-2-amine
IUPAC: 4,6-dimethyl-1,3,5-triazin-2-amine
英語名: 2-AMINO-4,6-DIMETHYL-1,3,5-TRIAZINE
分子式: C5H8N4
分子量: 124.14

名称と別名

1853-90-3dimethyl-1,3,5-triazin-2-amineRefChem:588435860-031-84,6-dimethyl-1,3,5-triazin-2-amine2-Amino-4,6-dimethyl-1,3,5-triazine4,6-dimethyl-1,3,5-triazine-2-ylamineSCHEMBL664729CHEMBL2271911VQZRXBOTCNWNLM-UHFFFAOYSA-NMFCD00052756SBB085560

名称をさらに表示

2-AMINO-4,6-DIMETHYL-S-TRIAZINE(4,6-dimethyl-s-triazin-2-yl)amine1,3,5-Triazin-2-aMine, 4,6-diMethyl-

STK365305AKOS005443612SB73323MS-21971SY469244[2-Amino-4,6-dimethyl-1,3,5-triazine]1,3,5-Triazine, 2-amino-4,6-dimethyl-DB-081778

データベース識別子

CAS: 1853-90-3
PubChem CID: 15820
ChEMBL: CHEMBL2271911
EC Number: 860-031-8
Nikkaji: J1.147.103J

物性

構造計算による物性

XLogP: 0.4
極性表面積: 64.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

融点: 171 · 171-173 °C
沸点: 356.5 · 356.5±25.0 °C(Predicted)
比重(密度): 1.194 · 1.194±0.06 g/cm3(Predicted)
酸解離定数(Pka): 3.81 · 3.81±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.