4-Methylcyclohexylamine (HCID 80604)

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

XLogP: 1.5
極性表面積: 26 Å²
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 · 1 件

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
CAS データベース: 2523 · 2523-55-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 1 件

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.