基本情報
- CAS
620-40-6- 標準SMILES
c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1- InChIKey
MXHTZQSKTCCMFG-UHFFFAOYSA-N- 分子式
- C21H21N
- 平均分子量
- 287.4 g/mol
- 単同位体質量
- 287.16739967
概要
isolated from Humulus lupulus; structure in first source
名称と識別子
- 優先名称
- Tribenzylamine
- IUPAC
- N,N-dibenzyl-1-phenylmethanamine
- 現地名
- トリベンジルアミン
- 英語名
- Tribenzylamine
- 分子式
- C21H21N
- 分子量
- 287.4
名称と別名
Tribenzylamine620-40-6Benzenemethanamine, N,N-bis(phenylmethyl)-N,N-dibenzyl-1-phenylmethanamineDTXSID5047031HZ10O1931JDTXCID3027031RefChem:190887210-638-3n,n,n-tribenzylamineN,N-Bis(phenylmethyl)benzenemethanamineMFCD00004773
名称をさらに表示
トリベンジルアミンN,N-ビスベンジルベンゼンメタンアミンN,N-ジベンジルベンゼンメタンアミンN,N-ビス(フェニルメチル)ベンゼンメタンアミンN,N-ジベンジルベンジルアミンTribenzylamine >N,N,N-TRIBENZYLAMINETRIBENZYLAMINE 99+%4-DihydroxypteridineTribenzylaMine, 99.3%Tribenzylamine, ≥ 99.0%tris(phenylmethyl)ammoniumTribenzylamine >=99.0% (NT)
trisbenzylamineAURORA KA-4701N,N-Dibenzyl(phenyl)methanamine(N,N-Dibenzylaminomethyl)benzeneN,N-dibenzyl-1-phenyl-methanaminen,n-bis(phenylmethyl)-benzenemethanaminTribenzylamine Solution in Methanol, 1000ug/mLtribenzyl-amine
データベース識別子
- CAS
620-40-6
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 3.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 6
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 235
実験および物理化学的性質
PolymersNitrogen Compounds -> Amines, Polyaromatic
SpringerMaterials PropertiesCrystal structure
Density0.9912 @25 °C
Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]
Collision Cross Section169.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5047031]
物理化学的性質
- 融点
- 91 · 91-94 °C (lit.)
- 沸点
- 380 · 380-390 °C
- 比重(密度)
- 0.991 g/cm3 · 0.991g/cm3
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.824 · 1.8240 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- 粉
- 酸解離定数(Pka)
- 6.9 · 6.90±0.50(Predicted)
- 色
- ホワイト～ライトクリーム
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
Warning
H315 (99.9%): 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)
Aggregated GHS information provided per 1436 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenemethanamine, N,N-bis(phenylmethyl)-
REACH registered substance: Tribenzylamine (EC: 210-638-3)
Tribenzylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Triphenylamine and Diphenylamine.
Hazard Classes and CategoriesSkin Irrit. 2 (99.9%)
安全と保護具
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
安全データ
- F
- 9-34
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 29214980
- risk_code
- 36/37/38-22
- 化審法
- (3)-353
化学と産業
用途と製造
UsesObtained from Humulus lupulus (the common hop); [ChemIDplus]
General Manufacturing InformationBenzenemethanamine, N,N-bis(phenylmethyl)-: ACTIVE
応用分野
使用Tribenzylamine (TBA) is a tertiary amine which can be used :As a nitrogen group source for the reactions involving CN bond formation.For the synthesis of imine i.e. Nbenzylidene benzylamine by aerobic oxidative condensation.As an extractant for the separation and determination of Cr(VI) and Cr(III) from wastewater.TBA can also undergo debenzylation in the presence of ceric ammonium nitrate (CAN) to form dibenzylamine.
調製方法
純化方法Crystallise the amine from absolute EtOH or pet ether. Dry it in a vacuum over P2O5 at room temperature. The hydrochloride has m 226-228o (from EtOH) and the picrate has m 191o (from H2O or aqueous EtOH). [Beilstein 12 IV 2183.]
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
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