N,N'-ジメチルシクロヘキサン-1,2-ジアミン

1-N,2-N-dimethylcyclohexane-1,2-diamine

HCID 551074

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基本情報

CAS: 61798-24-1
標準SMILES: CNC1CCCCC1NC
InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N
分子式: C8H18N2
平均分子量: 142.24 g/mol
単同位体質量: 142.14699858

名称と識別子

優先名称: 1-N,2-N-dimethylcyclohexane-1,2-diamine
IUPAC: 1-N,2-N-dimethylcyclohexane-1,2-diamine
現地名: N,N'-ジメチルシクロヘキサン-1,2-ジアミン
英語名: N,N'-Dimethyl-1,2-cyclohexanediamine
分子式: C8H18N2
分子量: 142.24

名称と別名

1-N,2-N-dimethylcyclohexane-1,2-diamineRefChem:434700629-408-261798-24-1N1,N2-Dimethylcyclohexane-1,2-diamineN,N'-Dimethyl-1,2-cyclohexanediamineN,N'-Dimethylcyclohexane-1,2-diamineMFCD05664382N,N'-Dimethyl-cyclohexane-1,2-diamine1,2-dimethylaminocyclohexane1,2-bis(methylamino)cyclohexaneGS-3699

名称をさらに表示

N,N'-ジメチルシクロヘキサン-1,2-ジアミンN,N'-ジメチル-1,2-シクロヘキサンジアミンN1,N2-Dimethyl-1,2-cyclohexanediamineohexanediamineN,N'-Dimethyl-1,2-diaminocyclohexane-1,2-cycLN,N'-dimethyl-1,2-cyclohexyldiamineN,N’-Dimethyl-cyclohexane-1,2-olamine1,2-Cyclohexanediamine, N1,N2-dimethyl-

N,N inverted exclamation mark -Dimethyl-1,2-cyclohexanediamine(1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine1808263-71-91,2-Cyclohexanediamine, N,N'-dimethyl-Cis-N,N-dimethyl-1,2-cyclohexanediamineN~1~,N~2~-Dimethylcyclohexane-1,2-diamine(1R,2S)-N1,N2-Dimethyl-1,2-cyclohexanediamineSCHEMBL145251

データベース識別子

CAS: 61798-24-1
PubChem CID: 551074
DTXSID: DTXSID60338775
EC Number: 629-408-2
Nikkaji: J2.276.807G

物性

構造計算による物性

XLogP: 0.7
極性表面積: 24.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 81.3

物理化学的性質

沸点: 78 · 78-80 °C18 mm Hg(lit.)
比重(密度): 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.472(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 11.04 · 11.04±0.40(Predicted)
外見: liquid
色: Colourlessto light yellow
InChI: InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3
InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N
SMILES: C1(NC)CCCCC1NC
CAS データベース: 61798 · 61798-24-1(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

安全データ

wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29213099
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅱ

化学と産業

応用分野

使用N,N''-Dimethyl-1,2-cyclohexanediamine is used as a catalyst in the synthesis of substituted pyrazoles with anti-inflammatory activity. As well as highly functional pyridines and bipyridines.