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

HCID 551074CAS 61798-24-1

기본 정보

표준 SMILES: CNC1CCCCC1NC
InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N
분자식: C8H18N2
평균 분자량: 142.24 g/mol
단동위원소 질량: 142.14699858

이름 및 식별자

우선 이름: 1-N,2-N-dimethylcyclohexane-1,2-diamine
IUPAC: 1-N,2-N-dimethylcyclohexane-1,2-diamine
영어명: N,N'-Dimethyl-1,2-cyclohexanediamine
분자식: C8H18N2
분자량: 142.24

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 81.3

물리화학적 성질

끓는 점: 78 · 78-80 °C18 mm Hg(lit.)
밀도: 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.472(lit.)
인화점: 165 °F · 165 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 11.04 · 11.04±0.40(Predicted)
물리적 상태: 액체
색상: 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

화학적 성질

Clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 29213099
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: Ⅱ
위험 등급: 8

화학 및 산업

응용 분야

용도N,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.