CAS 6852-58-0 2-Methyl-N-(phenylmethylene)-2-propanamine (HCID 111240)

名称と識別子

優先名称: 2-Methyl-N-(phenylmethylene)-2-propanamine
IUPAC: N-tert-butyl-1-phenylmethanimine
現地名: tert-ブチルベンジリデンアミン
英語名: 2-Methyl-N-(phenylmethylene)-2-propylamine
分子式: C11H15N
分子量: 161.24

名称と別名

2-Methyl-N-(phenylmethylene)-2-propanamineRefChem:475910628-365-76852-58-0N-Benzylidene tert-butylamine2-Propanamine, 2-methyl-N-(phenylmethylene)-N-tert-butyl-1-phenylmethanimineN-TERT-BUTYLBENZIMINE2-Methyl-N-(phenylmethylene)-2-propylamineMFCD00043553N-benzylidene-t-butylamineEthylamine, N-benzylidene-1,1-dimethyl-

名称をさらに表示

N-(1,1-ジメチルエチル)ベンゼンメタンイミンN-ベンジリデン-2-メチルプロパン-2-アミンN-tert-ブチルベンゼンメタンイミンN-ベンジリデン-tert-ブチルアミンN-ベンジリデンtert-ブチルアミンN-tert-ブチルベンジリデンアミンtert-ブチルベンジリデンアミンN-tert-ブチルフェニルメタンイミン2-メチル-N-(フェニルメチレン)-2-プロパンアミンN-ベンジリデン-1,1-ジメチルエタン-1-アミンN-ベンジリデン-2-メチル-2-プロパンアミンN-ベンジリデン-1,1-ジメチルエタンアミンN-ベンジリデン-T-ブチルアミンtert-ブチル(ベンジリデン)アミン1-(tert-ブチルイミノメチル)ベンゼンtert-ブチル(フェニルメチリデン)アミンtert-ブチルイミノメチルベンゼンN-(tert-ブチル)フェニルメタンイミンN-BENZYLIDENE-TERT-BUTYLAMINETIMTEC-BB SBB008132N-Benzylidene-N-tert-bN-tert-ButylbenzalimineTerbutaline Impurity 70N-tert-Butylbenzylimine 97%Benzylidene-tert-butylamine

(E)-N-tert-Butyl-1-phenylmethanimine75815-77-9(1E)-3,3-dimethyl-1-phenyl-2-azabut-1-ene[N(E)]-2-Methyl-N-(phenylmethylene)-2-propanamineN-tert-ButylbenzylideneamineN-Benzylidene-2-methyl-2-propanamineN-tert-ButylbenzylimineBenzylidene t-Butylamine

データベース識別子

CAS: 6852-58-0、75815-77-9
PubChem CID: 111240
DTXSID: DTXSID7064493
EC Number: 628-365-7
Nikkaji: J1.553.919D、J123.416A

物性

構造計算による物性

XLogP: 2.5
極性表面積: 12.4 Å²
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: 2
重原子数: 12
形式電荷: 0
複雑度: 147

物理化学的性質

融点: -30 · -30
沸点: 209 °C · 209 °C(lit.)
比重(密度): 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.52(lit.)
闪点: 173 °F · 173 °F
酸解離定数(Pka): 6.31 · 6.31±0.50(Predicted)
外見: liquid
色: Colourless to light yellow
比重: 0.906 · 0.906
InChI: 1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+
InChIKey: KFLSWDVYGSSZRX-FMIVXFBMSA-N
SMILES: CC(C)(C)\N=C\c1ccccc1
EPAの化学物質情報: 2 · 2-Propanamine, 2-methyl-N-(phenylmethylene)- (6852-58-0)

化学的性質

化学的特性Colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, 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.；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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)；Carc. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29215900
risk_code: 22-36/37/38-40-42/43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information2-Propanamine, 2-methyl-N-(phenylmethylene)-: INACTIVE

応用分野 · 2 件

用途有機合成原料。

一般的な説明In vitro metabolism of N-benzyl-tert-butylamine in male hamster hepatic microsomal preparations has been studied. Kinetic studies of frustrated Lewis pair (FLP)-catalyzed hydrogenation and deuteration of N-benzylidene-tert-butylamine suggests that the reaction proceeds via autoinductive catalysis.