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
78710-55-1- 標準SMILES
Cc1cc(C)cc(CN)c1- InChIKey
DZBHNPJZCQWUCG-UHFFFAOYSA-N- 分子式
- C9H13N
- 平均分子量
- 135.21 g/mol
- 単同位体質量
- 135.10479942
名称と識別子
- 優先名称
- 3,5-Dimethylbenzylamine
- IUPAC
- (3,5-dimethylphenyl)methanamine
- 現地名
- 3,5-ジメチルベンゼンメタンアミン
- 英語名
- 3,5-Dimethylbenzylamine
- 分子式
- C9H13N
- 分子量
- 135.21
名称と別名
3,5-DimethylbenzylamineEINECS 278-974-3RefChem:487023278-974-378710-55-1(3,5-dimethylphenyl)methanamine1-(3,5-dimethylphenyl)methanamineMFCD00040753(3,5-dimethyl)benzylamineSCHEMBL43251DTXSID009999653,5-Dimethylbenzylamine, AldrichCPR
名称をさらに表示
3,5-ジメチルベンジルアミン3,5-ジメチルベンゼンメタンアミン1-(3,5-ジメチルフェニル)メタンアミンRARECHEM AL BW 06343,5-Dimethylbenzylam5-(Aminomethyl)-m-xylene3,5-Dimethylbenzylamine97%3,5-Dimethylbenzylamine 97%3,5-DimethylbenzenemethanamineBenzenemethanamine, 3,5-dimethyl-(3,5-Dimethylphenyl)methanamine - [D89277]
AKOS000163738AS-44226CS-0280412EN300-2983603,5-dimethylbenzylamin3,5-Dimethylbenzylamine.2-(45-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOLSCHEMBL43250
データベース識別子
- CAS
78710-55-1- PubChem CID
- 2736241
- DTXSID
DTXSID00999965- EC Number
- 278-974-3
- Nikkaji
- J319.797B
物性
構造計算による物性補完中
- XLogP
- 1.5
- 極性表面積
- 26 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
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 90
物理化学的性質
- 沸点
- 102 °C · 102 °C
- 比重(密度)
- 0.94 · 0.94
- 酸解離定数(Pka)
- 9.2 · 9.20±0.10(Predicted)
- 外見
- liquid
- 色
- Colourless to light yellow / oil
- CAS データベース
- 78710 · 78710-55-1(CAS DataBase Reference)
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
H227 (33.3%): Combustible liquid [Warning Flammable liquids]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesFlam. Liq. 4 (33.3%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (100%)；Eye Dam. 1 (33.3%)；Acute Tox. 4 (66.7%)；Aquatic Chronic 3 (66.7%)
安全データ
- hs_code
- 2921490090
- risk_code
- 36/37/38-41
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-39
- hazard_class
- AIR SENSITIVE, CORROSIVE
化学と産業
応用分野
使用3,5-Dimethylbenzylamine is an intermediate in the preparation of substituted pyridine and pyrimidine derivatives use in treating viral infections.
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関連反応
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化合物ノート
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