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

개요

DNH is an amine.

이름 및 식별자

우선 이름: 1,2-Diaminocyclohexane, trans-
IUPAC: trans-(1R,2R)-cyclohexane-1,2-diamine
현지명: 시클로헥산디아민
영어명: (+/-)-trans-1,2-Diaminocyclohexane
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

(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

이름 더 보기

1,2-시클로헥산디아민,트랜스-시클로헥산디아민트랜스-1,2-디아미노시클로헥산트랜스-1,2-시클로헥산디아민(+/-)-트랜스-1,2-사이클로헥세인다이아민Cyclohexanediamine(±)-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 62.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

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

물리화학적 성질

녹는점: 14 · 14-15 °C(lit.)
끓는 점: 79 · 79-81 °C15 mm Hg(lit.)
밀도: 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
증기압: 0.4 mm · 0.4 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.489(lit.)
인화점: 156 °F · 156 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 9.94 · 9.94(at 20℃)
색상: 무색투명~연황색
수용성: 녹는
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
NIST: -1 · trans-1,2-Cyclohexanediamine(1121-22-8)
EPA: 1 · 1,2-Cyclohexanediamine, (1R,2R)-rel- (1121-22-8)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 2건

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 · 2건

Skin Corr. 1B (100%)

Skin Corr. 1B (96.1%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
HS 번호: 29213000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도(^+)-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.

일반 설명(±)-trans-1,2-Diaminocyclohexane was condensed with aliphatic dialdehydes to form [3+3] or [2+2] macrocyclization products.