1-Pyrrolidino-1-cyclohexene

HCID 70768CAS 1125-99-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C1=C(N2CCCC2)CCCC1
InChIKey: KTZNVZJECQAMBV-UHFFFAOYSA-N
분자식: C10H17N
평균 분자량: 151.25 g/mol
단동위원소 질량: 151.13609954

개요

1-(cyclohexen-1-yl)pyrrolidine is an organic molecular entity.

이름 및 식별자

우선 이름: 1-Pyrrolidino-1-cyclohexene
IUPAC: 1-(cyclohexen-1-yl)pyrrolidine
영어명: 1-Pyrrolidino-1-cyclohexene
분자식: C10H17N
분자량: 151.25

이름 및 동의어

1-Pyrrolidino-1-cyclohexeneRefChem:8284111125-99-11-(cyclohex-1-en-1-yl)pyrrolidine1-(Cyclohexen-1-yl)pyrrolidine1-Pyrrolidinocyclohexene1-(1-Cyclohexen-1-yl)pyrrolidinePyrrolidine, 1-(1-cyclohexen-1-yl)-1-(1-Pyrrolidinyl)cyclohexeneCyclohexanone pyrrolidine enamine1-cyclohex-1-en-1-ylpyrrolidineMFCD00003163

이름 더 보기

1-Pyrrolizinocyclohexene1-cyclohexenylpyrrolidine1-PYRROLIDINO-2-CYCLOHEXENEN-Pyrrolidino-1-cyclohexene1-Pyrrolizino-1-cyclohexene1-pyrrolidine-1-cyclohexene1-(1-PYRROLIDINO)CYCLOHEXENE

1-(1-Cyclohexenyl)pyrrolidineN-(1-Cyclohexen-1-yl)pyrrolidineN-(Cyclohex-1-en-1-yl)pyrrolidine1-Pyrrolidinyl-1-cyclohexeneN-(1-Cyclohexenyl)pyrrolidine1-(1-Pyrrolidino)-1-cyclohexene1-cyclohex-1-enyl-pyrrolidineNSC 29652

데이터베이스 식별자

CAS: 1125-99-1
PubChem CID: 70768
DTXSID: DTXSID00150079
ChEBI: CHEBI:233089
UNII: 5XU8FH2E7N
EC Number: 214-414-6
Nikkaji: J80.185B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 113 °C · 113 °C
끓는 점: 114 · 114-115 °C/15 mmHg (lit.)
밀도: 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5217(lit.)
인화점: 103 °F · 103 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.91 · 8.91±0.20(Predicted)
물리적 상태: 액체
색상: 맑은 연한 노란색
BRN: 114797 · 114797
NIST: 1 · Pyrrolidine, 1-(1-cyclohexen-1-yl)-(1125-99-1)

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (91.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.