1-포밀피롤리딘

1-Pyrrolidinecarboxaldehyde

HCID 77372CAS 3760-54-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=CN1CCCC1
InChIKey: AGRIQBHIKABLPJ-UHFFFAOYSA-N
분자식: C5H9NO
평균 분자량: 99.13 g/mol
단동위원소 질량: 99.06841391

개요

1-Pyrrolidinecarboxaldehyde is a member of pyrrolidines.

이름 및 식별자

우선 이름: 1-Pyrrolidinecarboxaldehyde
IUPAC: pyrrolidine-1-carbaldehyde
현지명: 1-포밀피롤리딘
영어명: 1-FORMYLPYRROLIDINE
분자식: C5H9NO
분자량: 99.13

이름 및 동의어

3760-54-1N-Formylpyrrolidine1-PyrrolidinecarboxaldehydeProlinalLO74GWE7WDNSC-42516DTXSID40191042proline aldehydeRefChem:176189DTXCID50113533223-175-71-Formylpyrrolidine

이름 더 보기

1-포밀피롤리딘1-formylpyrolidineTIMTEC-BB SBB0080201-ForMylpyrrolidine 97%N-formyl tetrahydropyrrole

Pyrrolidine-1-carbaldehydePyrrolidine-1-carboxaldehyde1-PyrrolidinecarbaldehydeUNII-LO74GWE7WDMFCD00003169EINECS 223-175-7NSC 42516CHEMBL4745604

데이터베이스 식별자

CAS: 3760-54-1
PubChem CID: 77372
DTXSID: DTXSID40191042
ChEMBL: CHEMBL4745604
ChEBI: CHEBI:178202
UNII: LO74GWE7WD
EC Number: 223-175-7
Nikkaji: J217.654H

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 66.5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials PropertiesSchoenflies notation

LogP · 2건

-0.32

Vapor Pressure1.28 [mmHg]

Physical DescriptionClear light brown liquid; [Aldrich MSDS]

물리화학적 성질

끓는 점: 92 · 92-94 °C/15 mmHg (lit.)
밀도: 1.04 g/mL · 1.04 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.479(lit.)
인화점: 203 °F · 203 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: liquid
산도 계수 (pKa): -0.44 · -0.44±0.20(Predicted)
BRN: 106540 · 106540
InChI: InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
InChIKey: AGRIQBHIKABLPJ-UHFFFAOYSA-N
SMILES: N1(C=O)CCCC1

화학적 성질

CLEAR SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
safety_code: 23-24/25
F 고인화성물질: 10
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도1-Formylpyrrolidine was used in the synthesis of 1-oxa-3,4-dimethyl-5-(1-pyrrolldino)-2,2-di(tert-butyl)silacyclopentane and 1-oxa-4-isopropyl-5-(1-pyrrolidino)-2,2-di(tert-butyl)silacyclopentane.

일반 설명1-Formylpyrrolidine is the monomer constituent of gas clathrate inhibitor.