ジベンジルアミン
Dibenzylamine
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
103-49-1- 標準SMILES
c1ccc(CNCc2ccccc2)cc1- InChIKey
BWLUMTFWVZZZND-UHFFFAOYSA-N- 分子式
- C14H15N
- 平均分子量
- 197.27 g/mol
- 単同位体質量
- 197.12044948
名称と識別子
- 優先名称
- Dibenzylamine
- IUPAC
- N-benzyl-1-phenylmethanamine
- 現地名
- ジベンジルアミン
- 英語名
- Dibenzylamine
- 分子式
- C14H15N
- 分子量
- 197.28
名称と別名
Dibenzylamine103-49-1Benzenemethanamine, N-(phenylmethyl)-BibenzylamineN-(Phenylmethyl)benzenemethanamineDTXSID60443553G0YFX01C6NSC-4811DTXCID4024355RefChem:132868203-117-7N-benzyl-1-phenylmethanamine
名称をさらに表示
ジベンジルアミンベンジルアミノメチルベンゼン1,1'-(イミノビスメチレン)ビスベンゼンビス(ベンジル)アミンN,N-ジベンジルアミンN-ベンジルベンゼンメタンアミンイミノビスメチレンビスベンゼンN-ベンジルベンジルアミンビベンジルアミンN-(フェニルメチル)ベンゼンメタンアミン(イミノビスメチレン)ビスベンゼンビス(フェニルメチル)アミン（n-ベンジルアミノメチル）ベンゼン1,1′-(イミノビスメチレン)ビスベンゼンビスベンジルアミンAccelerator DBADBZADIBAMVulcaid 28forLabetalol
N,N-DibenzylamineN-BenzylbenzylaminebisbenzylamineDIBENZYL-AMINE(N-Benzylaminomethyl)benzeneMFCD00004770NSC 4811N,N-Dibenylamine
データベース識別子
- CAS
103-49-1- PubChem CID
- 7656
- DTXSID
DTXSID6044355- ChEMBL
CHEMBL3182419- ChEBI
CHEBI:189125- UNII
- 3G0YFX01C6
- EC Number
- 203-117-7
- Nikkaji
- J37.741D
物性
構造計算による物性補完中
- XLogP
- 2.7
- 極性表面積
- 12 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 137
実験および物理化学的性質
Vapor Pressure0.00026 [mmHg]
Physical DescriptionLiquid with an ammoniacal odor; [Merck Index] Colorless liquid with a weak odor; [Alfa Aesar MSDS]
Ionization Efficiency
Positive
5
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Kovats Retention Index
1688.9；1670
2427；2473；2473
Collision Cross Section149.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6044355]；150.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6044355]
物理化学的性質
- 融点
- -26 °C · -26 °C (lit.)
- 沸点
- 300 °C · 300 °C (lit.)
- 比重(密度)
- 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
- 蒸気圧
- 1 · 1-1013hPa at 113.1-286℃
- 屈折率
- 20 · n20/D 1.574(lit.)
- 闪点
- 290 °F · 290 °F
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
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (24.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (42.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (24.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (44.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H412 (18.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Benzenemethanamine, N-(phenylmethyl)-
Benzenemethanamine, N-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11844；Status: Cease Manufacture Update: 06-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24936；Status: Cease Manufacture Update: 14-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7229
化学と産業
用途と製造
UsesUsed in the detection of cobalt, cyanate, and iron; [Merck Index] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
U.S. Production2022: 339,051 lb；2020: 523,600 lb
General Manufacturing InformationBenzenemethanamine, N-(phenylmethyl)-: ACTIVE
応用分野
用途ゴム薬品、医薬品原料
使用Dibenzylamine is used to prepare rubber accelerator for the vulcanization process and reaction-stoppers. Dibenzylamine type accelerators reduce nitrosamine production in the compounding process. It is also used to produce dibenzyl-nitroso-amine.
調製方法
製造方法Dibenzylamine is obtained by the reaction of benzyl chloride and liquid ammonia in ethanol.
純化方法Purify the amine by distillation in a vacuum. It causes burns to the skin. The dihydrochloride has m 265-266o (from MeOH/HCl), and the tetraphenyl boronate has m 129-133o. [Bradley & Maisey J Chem Soc 247 1954, Hall J Phys Chem 60 63 1956, Donetti & Bellora J Org Chem 37 3352 1972, Beilstein 12 IV 2179.]
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