1,3,3-트리메틸-6-아자-비사이클로[3.2.1]옥탄

1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane

HCID 103787CAS 53460-46-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CC2CC(C)(CN2)C1
InChIKey: FRAKHUZTNLUGPB-UHFFFAOYSA-N
분자식: C10H19N
평균 분자량: 153.26 g/mol
단동위원소 질량: 153.15174961

이름 및 식별자

우선 이름: 1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane
IUPAC: 1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
현지명: 1,3,3-트리메틸-6-아자-비사이클로[3.2.1]옥탄
영어명: 1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane
분자식: C10H19N
분자량: 153.26

이름 및 동의어

1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCTANE53460-46-11,3,3-Trimethyl-6-azabicyclo(3.2.1)octane6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-Azabicyclo(3.2.1)octane, 1,3,3-trimethyl-DTXSID30886056RefChem:72218DTXCID108941591,3,3-TABO258-569-8EINECS 258-569-8MFCD00066934

이름 더 보기

1,3,3-트리메틸-6-아자-비사이클로[3.2.1]옥탄AURORA KA-5720LABOTEST-BB LT000530303,3,5-Trimethyl-7-azabicyclo[3.2.1]octane1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane1,3,3-Trimethyl-6-azabicyclo[3.2.1]octane,97%4,4,6-Trimethyl-2,6-methanohexahydro-1H-azepine(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane(SALTDATA: FREE)

(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octanerac-(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octaneSCHEMBL55793SCHEMBL212343SCHEMBL6242412ALBB-013681SBB056751AKOS005174030

데이터베이스 식별자

CAS: 53460-46-1
PubChem CID: 103787
DTXSID: DTXSID30886056
EC Number: 258-569-8
Nikkaji: J295.963A

물성

구조 계산 물성

XLogP: 2.3
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: 174

물리화학적 성질

녹는점: 93 °C · 93°C
끓는 점: 266.22 °C · 266.22°C (rough estimate)
밀도: 0.927 · 0.9270 (rough estimate)
굴절률: 1.522 · 1.5220 (estimate)
저장 조건: Store at Room Tem.
EPA: 6 · 6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl- (53460-46-1)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.