1,2-Diaminocyclohexane, trans- (HCID 43806)

概要

DNH is an amine.

名称と識別子

優先名称: 1,2-Diaminocyclohexane, trans-
IUPAC: trans-(1R,2R)-cyclohexane-1,2-diamine
現地名: trans-1,2-シクロヘキサンジアミン
英語名: (+/-)-trans-1,2-Diaminocyclohexane
分子式: C6H14N2
分子量: 114.19

名称と別名

(1R,2R)-(-)-1,2-Diaminocyclohexane1121-22-8trans-1,2-Diaminocyclohexane1,2-Cyclohexanediamine, (1R,2R)-rel-(-)-trans-1,2-Diaminocyclohexane1,2-Diaminocyclohexane, trans-DTXSID60883654TRANS-N,N'-1,2-CYCLOHEXANEDIAMINE1,2-DIAMINOCYCLOHEXANE, TRANS-(-)-RefChem:411507trans1,2CyclohexanediamineDTXCID901766844

名称をさらに表示

trans-1,2-シクロヘキサンジアミンrel-(1R*,2R*)-シクロヘキサン-1,2-ジアミンrel-(1R*,2R*)-1,2-シクロヘキサンジアミンrel-1α*,2β*-シクロヘキサンジアミンrel-シクロヘキサン-1α*,2β*-ジアミンrel-(1α*,2β*)-シクロヘキサン-1,2-ジアミンrel-シクロヘキサン-1β*,2α*-ジアミン(±)-TRANS-1,2-ジアミノシクロヘキサンTRANS‐1,2‐シクロヘキサンジアミン(+/-)-TRANS-1,2-ジアミノシクロヘキサンTRANS-1,2-ジアミノシクロヘキサン (RACEMIC)シクロヘキサンジアミンrel-1α*,2β*-ジアミノシクロヘキサンrel-1β*,2α*-ジアミノシクロヘキサンCyclohexanediamine(±)-trans-1,2-DiaminocyclohexaneTIMTEC-BB SBB007639trans-1,2-cyclohexyldiaminetrans-1,2-CyclohexanediOxaliplatin Impurity 16(±)-trans-1,2-DiaminocycLtrans-1,2-Diaminocyclohextrans-1,2-Cyclohexaneiamine

1,2Cyclohexanediamine, (1R,2R)rel606-556-620439-47-8(1R,2R)-cyclohexane-1,2-diaminetrans-1,2-Cyclohexanediaminetrans-cyclohexane-1,2-diamine(+/-)-trans-1,2-Diaminocyclohexane(1r,2r)-1,2-diaminocyclohexane

データベース識別子

CAS: 1121-22-8、20439-47-8
PubChem CID: 43806
DTXSID: DTXSID001365655
ChEBI: CHEBI:228823
UNII: 37EKL250EE、88RM10ID0P
EC Number: 601-163-6、606-556-6
Nikkaji: J82.963C

物性

構造計算による物性

XLogP: -0.3
極性表面積: 52 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: 0
重原子数: 8
形式電荷: 0
複雑度: 62.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

Physical DescriptionColorless to pale yellow liquid with an amine-like odor; [Alfa Aesar MSDS]

物理化学的性質

融点: 14 · 14-15 °C(lit.)
沸点: 79 · 79-81 °C15 mm Hg(lit.)
比重(密度): 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
蒸気圧: 0.4 mm · 0.4 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.489(lit.)
闪点: 156 °F · 156 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: 液体
酸解離定数(Pka): 9.94 · 9.94(at 20℃)
色: 無色透明～薄黄色
水溶解度: 溶ける
BRN: 506142 · 506142
InChI: 1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
InChIKey: SSJXIUAHEKJCMH-WDSKDSINSA-N
SMILES: N[C@@H]1CCCC[C@H]1N
CAS データベース: 1121 · 1121-22-8(CAS DataBase Reference)
NISTの化学物質情報: -1 · trans-1,2-Cyclohexanediamine(1121-22-8)
EPAの化学物質情報: 1 · 1,2-Cyclohexanediamine, (1R,2R)-rel- (1121-22-8)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Danger

H314 (96.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 24-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22102

Hazards SummaryCauses burns; [Alfa Aesar MSDS] See 1,2-Diaminocyclohexane. See (1S,2S)-(+)-1,2-Diaminocyclohexane.

Hazard Classes and Categories · 2 件

Skin Corr. 1B (100%)

Skin Corr. 1B (96.1%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-34
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29213000
risk_code: 34
化審法: (3)-4230
消防法: 危-4-2-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing Information1,2-Cyclohexanediamine, (1R,2R)-rel-: ACTIVE

応用分野 · 2 件

使用(^+)-trans-1,2-Diaminocyclohexane is employed in the synthesis of macrocyclic [3+3] hexa Schiff base. It also plays an important role in the preparation of multidentate ligands, chiral auxiliaries and chiral stationary phases. Further, it is used to prepare [2+2] macrocyclization by reacting with aliphatic dialdehydes. In addition to this, it acts as a chiral ligand, which finds application in asymmetric catalysis.

一般的な説明(±)-trans-1,2-Diaminocyclohexane was condensed with aliphatic dialdehydes to form [3+3] or [2+2] macrocyclization products.