trans-4-メチルシクロヘキシルアミン
4-Methylcyclohexylamine
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基本情報
- CAS
2523-55-9- 標準SMILES
CC1CCC(N)CC1- InChIKey
KSMVBYPXNKCPAJ-UHFFFAOYSA-N- 分子式
- C7H15N
- 平均分子量
- 113.2 g/mol
- 単同位体質量
- 113.12044948
概要
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
名称と識別子
- 優先名称
- 4-Methylcyclohexylamine
- IUPAC
- 4-methylcyclohexan-1-amine
- 現地名
- trans-4-メチルシクロヘキシルアミン
- 英語名
- trans-4-Methylcyclohexyl amine
- 分子式
- C7H15N
- 分子量
- 113.2
名称と別名
4-Methylcyclohexylamine6321-23-94-MethylcyclohexanamineCyclohexanamine, 4-methyl-p-MethylcyclohexylamineCyclohexylamine, 4-methyl-DTXSID2064232NSC-32387RefChem:998664-MCHA9WR926L6NRDTXCID6043759
名称をさらに表示
trans-4-メチルシクロヘキシルアミンTrans-Glimepiride Impurity 24Trans-4-Methylcylohexylaminerans-4-Methylcyclohexylaminetrans-4-Methylcyclohexylamin(1r,4r)-4-MethylcyclohexanaMineTrans-4-Methyl Cylclohexyl AmineTRANS-4-METHYL-1-CYCLOHEXYLAMINE
228-673-8Trans-4-Methylcyclohexylamine2523-55-92523-56-0cis-4-Methylcyclohexylaminetrans-4-Methylcyclohexanamine4-methylcyclohexan-1-amineCis-4-Methylcyclohexanamine
データベース識別子
- CAS
2523-55-9、2523-56-0、6321-23-9- PubChem CID
- 80604
- DTXSID
DTXSID2064232- ChEMBL
CHEMBL3780789、CHEMBL510738- ChEBI
CHEBI:183280- UNII
- 6HY7JNM5XM、HZE5FWV7EQ
- EC Number
- 228-673-8、835-419-5
- Nikkaji
- J149.994G、J263.661A、J263.667K
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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 62.8
実験および物理化学的性質
Physical Description
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
物理化学的性質
- 融点
- -8.5 °C · -8.5°C (estimate)
- 沸点
- 151 · 151-154°C
- 比重(密度)
- 0.85 · 0.85
- 屈折率
- 1.45 to · 1.4500 to 1.4530
- 闪点
- 26 °C · 26°C
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- clear liquid
- 酸解離定数(Pka)
- 10.58 · 10.58±0.70(Predicted)
- 色
- Colorless to Light yellow
- InChI
- InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
- InChIKey
- KSMVBYPXNKCPAJ-LJGSYFOKSA-N
- SMILES
- [C@@H]1(N)CC[C@@H](C)CC1
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
P-AMINOCYCLOHEXYLMETHANE is incompatible with acids and oxidizing agents. Neutralizes acids exothermically to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Generates flammable gaseous hydrogen in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsSlowly decomposes in air to yield ammonia.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
化学と産業
用途と製造
General Manufacturing InformationCyclohexanamine, 4-methyl-: ACTIVE
上流・下流製品情報
下流製品
関連反応
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化合物ノート
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