基本情報
- 標準SMILES
CNC1CCCCC1- InChIKey
XTUVJUMINZSXGF-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
Methyl cyclohexylamine appears as a water-white liquid. Slightly soluble in water and floats on water. A strong irritant to skin and eyes. Corrosive. Used as a solvent.
名称と識別子
- 優先名称
- N-Methylcyclohexylamine
- IUPAC
- N-methylcyclohexanamine
- 現地名
- N-メチルシクロヘキシルアミン
- 英語名
- N-Methylcyclohexylamine
- 分子式
- C7H15N
- 分子量
- 113.2
名称と別名
名称をさらに表示
データベース識別子
- CAS
100-60-7- PubChem CID
- 7514
- DTXSID
DTXSID3059216- ChEBI
CHEBI:59018- UNII
- YH8PF4C1OW
- EC Number
- 202-869-3
- Nikkaji
- J23.469I
物性
構造計算による物性
- XLogP
- 1.6
- 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
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 55.4
実験および物理化学的性質
物理化学的性質
- 融点
- -9 · -9--7 °C (lit.)
- 沸点
- 149 °C · 149 °C (lit.)
- 比重(密度)
- 0.868 g/mL · 0.868 g/mL at 25 °C (lit.)
- 蒸気密度
- 4 · 4 (vs air)
- 蒸気圧
- 11 mm · 11 mm Hg ( 40 °C)
- 屈折率
- 20 · n20/D 1.456(lit.)
- 闪点
- 85 °F · 85 °F
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 54 g/リットル · 54g/リットル
- 外見
- 液体
- 酸解離定数(Pka)
- 11.03 · 11.03±0.20(Predicted)
- 比重
- 0.855 · 0.855 (20/4℃)
- 色
- 無色透明~黄色
- PH
- 12 · 12 (10g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 2.2 · 2.2-10.5%(V)
- 水溶解度
- 5.4 g/100mL · 5.4g/100mL(20℃)
- BRN
- 1523664 · 1523664
- Dielectric constant
- 3.64 · 3.6400000000000001
- InChI
- 1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
- InChIKey
- XTUVJUMINZSXGF-UHFFFAOYSA-N
- SMILES
- CNC1CCCCC1
- CAS データベース
- 100 · 100-60-7(CAS DataBase Reference)
- NISTの化学物質情報
- Cyclohexanamine, N-methyl-(100-60-7)
- EPAの化学物質情報
- Cyclohexanamine, N-methyl- (100-60-7)
化学的性質
化学的特性clear colourless to yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 218 reports by companies from 11 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: Cyclohexanamine, N-methyl-
Status: Active Update: 13-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17035
Cyclohexyl(methyl)amine: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
METHYL CYCLOHEXYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
安全と保護具
毒性情報
EPA Provisional Peer-Reviewed Toxicity Values
n-Methylcyclohexylamine
PDF Document
2011
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GX1529000
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29213099
- risk_code
- 10-21/22-35-20/21/22
- 化審法
- (3)-4003
- 消防法
- 危-4-2-III
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
使用Intermediate, solvent, acid acceptor.
使用N-Methylcyclohexylamine is used as a component of vulcanization accelerators, but the market size is relatively small.
一般的な説明A water-white liquid. Slightly soluble in water and floats on water. A strong irritant to skin and eyes. Corrosive. Used as a solvent.
調製方法
製造方法N-Methylcyclohexylamine can be prepared by a procedure similar to that used for cyclohexylamine, i.e., by hydrogenation of methylaniline over a supported nickel catalyst or from cyclohexanone and methylamine under hydrogenation conditions. Cyclohexylamine reacts with methanol over copper, zinc, or copper – calcium catalysts.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A secondary aliphatic amine having methyl and cyclohexyl as the two alkyl groups.
関連反応
関連ノート
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