(4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride
基本情報
- CAS
1345866-68-3- 標準SMILES
Cl.NCc1ccc(-c2nncnn2)cc1- InChIKey
FAAUXGMWUKVOPI-UHFFFAOYSA-N- 分子式
- C9H10ClN5
- 平均分子量
- 223.66 g/mol
- 単同位体質量
- 223.062473
名称と識別子
- 優先名称
- (4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride
- IUPAC
- [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
- 英語名
- H-Tz-Bz-NH3Cl hydrochloride
- 分子式
- C9H10ClN5
- 分子量
- 223.6622
名称と別名
1416711-59-5(4-(1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine hydrochlorideRefChem:401947856-804-41345866-68-3MFCD23097050Tetrazine-Amine monohydrochloride1-[4-(1,2,4,5-TETRAZIN-3-YL)PHENYL]METHANAMINE HYDROCHLORIDEBenzenemethanamine, 4-(1,2,4,5-tetrazin-3-yl)-, hydrochloride (1:1)(4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine xhydrochloride[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
名称をさらに表示
4-((1,2,4,5-tetrTetrazine Amine (CCT-1130)H-Tz-Bz-NH3Cl hydrochlorideBenzylamino tetrazine hydrochloride4-((1,2,4,5-tetrazine-3-yl)phenyl)methanamine hydrochlorider (4-(1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride(4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride 95%Benzenemethanamine, 4-(1,2,4,5-tetrazin-3-yl)-, hydrochloride (1:?)
(4-?(1,?2,?4,?5-?tetrazin-?3-?yl)?phenyl)?methanamine HCLTetrazine-Amine (monohydrochloride)SY122744(4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride (1:?)[4-(1,2,4,5-Tetrazin-3-yl)phenyl]methanamine HCl[4-(1,2,4,5-Tetrazin-3-yl)phenyl]methanamine Monohydrochloride(4-(1,2,4,5-tetrazin-3-yl)phenyl)methanamine HCL[4-(1,2,4,5-Tetrazin-3-yl)phenyl]methanamine xHydrochloride
データベース識別子
- CAS
1345866-68-3、1416711-59-5- PubChem CID
- 86767671
- EC Number
- 802-986-5、856-804-4
物性
構造計算による物性
- 極性表面積
- 77.6 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
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 161
物理化学的性質
- 融点
- 206 · 206-225°C (decomposition)
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- ピンクから赤
- InChI
- 1S/C9H9N5.ClH/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9;/h1-4,6H,5,10H2;1H
- InChIKey
- FAAUXGMWUKVOPI-UHFFFAOYSA-N
- SMILES
- NCC1=CC=C(C2=NN=CN=N2)C=C1.[H]Cl
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 3 (50%)
安全データ
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-36/37/38
- hazard_code
- T
- safety_code
- 26-45
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
応用分野
使用[4-(1,2,4,5-Tetrazin-3-yl)phenyl]methanamine Hydrochloride is a useful reagent in the preparation of tetrazine derivatives and their applications on pyrazolone-based modification of biomolecules.
一般的な説明4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine is a 1,2,4,5-tetrazine derivative capable of undergoing [4+2] Diels-Alder cycloaddition reactions with strained alkenes, which makes it highly useful in bioorthogonal labeling and cell detection applications.
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