基本情報
- CAS
5437-49-0- 標準SMILES
CN(C)c1nc(N)nc2nc[nH]c12- InChIKey
GHILAORILZRWPO-UHFFFAOYSA-N- 分子式
- C7H10N6
- 平均分子量
- 178.2 g/mol
- 単同位体質量
- 178.09669432
名称と識別子
- 優先名称
- N6,N6-Dimethyl-9H-purine-2,6-diamine
- IUPAC
- 6-N,6-N-dimethyl-7H-purine-2,6-diamine
名称と別名
N6,N6-DIMETHYL-9H-PURINE-2,6-DIAMINERefChem:831650668-981-35437-49-02-Amino-6-dimethylaminopurine6-N,6-N-dimethyl-7H-purine-2,6-diamineN6,N6-dimethyl-7H-purine-2,6-diamineSCHEMBL401117SCHEMBL1675432SCHEMBL3235806CHEMBL4172681DTXSID50969471
名称をさらに表示
GHILAORILZRWPO-UHFFFAOYSA-N2-Amino-6-dimethylamino-9H-purineFAA43749NSC16130MFCD03939978NSC-16130STL512377AKOS024324488
データベース識別子
- CAS
5437-49-0- PubChem CID
- 4060333
- DTXSID
DTXSID50969471- ChEMBL
CHEMBL4172681- EC Number
- 668-981-3
- Nikkaji
- J1.684.197H
物性
構造計算による物性
- XLogP
- -0.1
- 極性表面積
- 83.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 184
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
関連反応
2 件
化合物ノート
読み込み中…