2-Methyldecahydroquinoline (mixture of isomers)

HCID 524016CAS 20717-43-5

기본 정보

표준 SMILES: CC1CCC2CCCCC2N1
InChIKey: FJRLSRUBXMUSOC-UHFFFAOYSA-N
분자식: C10H19N
평균 분자량: 153.26 g/mol
단동위원소 질량: 153.15174961

이름 및 식별자

우선 이름: 2-Methyldecahydroquinoline (mixture of isomers)
IUPAC: 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
영어명: 2-Methyldecahydroquinoline (mixture of isomers)
분자식: C10H19N
분자량: 153.26

이름 및 동의어

20717-43-5RefChem:476038835-882-3Decahydroquinoline, 2-methyl2-methyldecahydroquinolineMFCD205476632-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline2-METHYL-DECAHYDROQUINOLINEdecahydro-quinaldineSCHEMBL4666029SCHEMBL4704514DTXSID001377052

이름 더 보기

Quinoline, decahydro-2-methyl-2-Methyldecahydroquinoline (mixture of isomers)

quinoline, trans-decahydro-2-methyl-SY246080M31892-Methyldecahydroquinoline(mixture of isomers)EN300-6729058

데이터베이스 식별자

CAS: 20717-43-5
PubChem CID: 524016
DTXSID: DTXSID001377052
EC Number: 835-882-3
Nikkaji: J82.187J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

Kovats Retention Index1218

물리화학적 성질

녹는점: 178 °C · 178 °C
끓는 점: 206 °C · 206 °C
밀도: 0.9308 g/cm3 · 0.9308 g/cm3
굴절률: 1.48 · 1.48
물리적 상태: 투명한 액체
산도 계수 (pKa): 10.91 · 10.91±0.40(Predicted)
색상: Colorless to Light yellow to Light orange

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.