Decahydroquinoline

HCID 92911CAS 2051-28-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C1CCC2NCCCC2C1
InChIKey: POTIYWUALSJREP-UHFFFAOYSA-N
분자식: C9H17N
평균 분자량: 139.24 g/mol
단동위원소 질량: 139.13609954

개요

See also: Quinoline, decahydro-, (4aR,8aS)-rel- (annotation moved to).

이름 및 식별자

우선 이름: Decahydroquinoline
IUPAC: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
영어명: Decahydroquinoline
분자식: C9H17N
분자량: 139.24

이름 및 동의어

Decahydroquinoline2051-28-7Quinoline, decahydro-DTXSID10871203RefChem:131169DTXCID50818874218-116-71,2,3,4,4a,5,6,7,8,8a-decahydroquinoline2-Azabicyclo[4.4.0]decaneMFCD00006695Quinoline, decahydro-, trans-767-92-0

이름 더 보기

QUINOLIDINEdecahydro-quinolin(4aR,8aR)-Decahydroquinoline(4aβ,8aβ)-DecahydroquinolineDECAHYDROQUINOLINE 2051-28-7DECAHYDROQUINOLINE(CIS+TRANS)Decahydroquinoline in isooctane

SCHEMBL13447AKOS000121442CS-W016473AC-16185D2936DL-trans-Decahydroquinoline(4aR,8aS)-decahydroquinolinedecahydro-quinoline

데이터베이스 식별자

CAS: 2051-28-7
PubChem CID: 92911
DTXSID: DTXSID10871203
EC Number: 218-116-7
Nikkaji: J13.766I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quinolines

Physical DescriptionColorless hygroscopic liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 37.5 · 37.5-45 °C
끓는 점: 245.24 °C · 245.24°C (rough estimate)
밀도: 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4916(lit.)
인화점: 155 °F · 155 °F
저장 조건: RT, protect from light
산도 계수 (pKa): 10.85 · 10.85±0.10(Predicted)
물리적 상태: 녹는 고체
Specific Gravity: 0.933 · 0.933
색상: 무색투명~연황색
InChI: 1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2
InChIKey: POTIYWUALSJREP-UHFFFAOYSA-N
SMILES: C1CCC2NCCCC2C1
NIST: Quinoline, decahydro-(2051-28-7)
EPA: Quinoline, decahydro- (2051-28-7)

화학적 성질

clear colorless to light yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.