1,2-Diaminocyclohexane, cis-

HCID 342917CAS 1436-59-5

기본 정보

표준 SMILES: N[C@@H]1CCCC[C@@H]1N
InChIKey: SSJXIUAHEKJCMH-OLQVQODUSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569845

이름 및 식별자

우선 이름: 1,2-Diaminocyclohexane, cis-
IUPAC: cis-(1S,2R)-cyclohexane-1,2-diamine
영어명: cis-1,2-Diaminocyclohexane
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

cis-1,2-Diaminocyclohexane1436-59-5cis-1,2-Cyclohexanediamine1,2-Diaminocyclohexane, cis-meso-1,2-Cyclohexanediamine1,2-Cyclohexanediamine, (1R,2S)-rel-DTXSID501311027RefChem:411506DTXCID901740856(+-)-CIS-CYCLOHEXANE-1,2-DIAMINE604-372-0cis-cyclohexane-1,2-diamine

이름 더 보기

cis<Compound Fr14224(2-aminocyclohexyl)amine1,2-DIAMINOCYCLOHEXANE, cis

(1R,2S)-cyclohexane-1,2-diamine(1S,2R)-cyclohexane-1,2-diamineMFCD00063746R0ZN6K26EP1,2-Cyclohexanediamine #cis-1,2-CyclohexandiamineUNII-R0ZN6K26EP(R)(S)-1,2-Diaminocyclohexane

데이터베이스 식별자

CAS: 1436-59-5
PubChem CID: 342917
DTXSID: DTXSID501311027
UNII: R0ZN6K26EP
EC Number: 604-372-0
Nikkaji: J80.111I

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

물리화학적 성질

녹는점: 8 °C · 8°C
끓는 점: 92 · 92-93 °C/18 mmHg (lit.)
밀도: 0.952 g/mL · 0.952 g/mL at 25 °C (lit.)
증기압: 0.4 mm · 0.4 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.493(lit.)
인화점: 161 °F · 161 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: Completely miscible in water
물리적 상태: 저융점 고체
산도 계수 (pKa): 9.93 · 9.93(at 20℃)
색상: 갈색
InChI: InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+
InChIKey: SSJXIUAHEKJCMH-OLQVQODUSA-N
SMILES: [C@@H]1(N)CCCC[C@@H]1N |&1:0,6,r|
NIST: -1 · cis-1,2-Cyclohexanediamine(1436-59-5)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 12-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21661

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
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: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도cis-1,2-Diaminocyclohexane was used in the synthesis of platinum complexes that have high antitumor activity.It was also used in the synthesis of multidentate ligands for uranyl and transition metal complexation.

일반 설명cis-1,2-Diaminocyclohexane perturbed the spectrum of free pyrroloquinoline quinone (PQQ), a covalently linked form of which is the carbonyl cofactor of lysyl oxidase and also induced similar changes in the spectrum of lysyl oxidase.