5-메틸-2-피롤리돈

5-Methyl-2-pyrrolidone

HCID 66055CAS 108-27-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCC(=O)N1
InChIKey: YVIVRJLWYJGJTJ-UHFFFAOYSA-N
분자식: C5H9NO
평균 분자량: 99.13 g/mol
단동위원소 질량: 99.06841391

개요

Gamma-Valerolactam is a member of pyrrolidin-2-ones.

이름 및 식별자

우선 이름: 5-Methyl-2-pyrrolidone
IUPAC: 5-methylpyrrolidin-2-one
현지명: 5-메틸-2-피롤리돈
영어명: 5-METHYL-2-PYRROLIDONE
분자식: C5H9NO
분자량: 99.13

이름 및 동의어

5-Methyl-2-pyrrolidone108-27-05-Methyl-2-pyrrolidinonegamma-Valerolactam2-Pyrrolidinone, 5-methyl-.gamma.-Valerolactam1X0OUE3QOBEINECS 203-566-9UNII-1X0OUE3QOBNSC 75833NSC-75833RefChem:103132

이름 더 보기

5-메틸-2-피롤리돈4-Pentanelactam5-METHYLBUTYROLACTAM5-methyl-2-pyridineone5-Methyl-2-pyprrolidone5-Methyl-2-pyrrolizinone5-METHYL-2-PYRR0LIDIN0NE

2-Pyrrolidinone, 5-methyl-(8CI)2-Pyrrolidinone, 5-methyl-(8CI)(9CI)YVIVRJLWYJGJTJ-UHFFFAOYSA-N5-methylpyrrolidin-2-oneMFCD00005273NSC758335-methylpyrrolidinone5-methyl 2-pyrrolidinone

데이터베이스 식별자

CAS: 108-27-0
PubChem CID: 66055
DTXSID: DTXSID50870457
ChEBI: CHEBI:183240
UNII: 1X0OUE3QOB
EC Number: 203-566-9
Nikkaji: J5.071G

물성

구조 계산 물성

XLogP: 0
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 90.1

실험 및 물리화학적 성질

LogP-0.1

물리화학적 성질

녹는점: 41 · 41-43 °C(lit.)
끓는 점: 248 °C · 248 °C(lit.)
밀도: 1.0458 · 1.0458
굴절률: 1.4431 · 1.4431 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 16.68 · 16.68±0.40(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
InChI: 1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey: YVIVRJLWYJGJTJ-UHFFFAOYSA-N
SMILES: CC1CCC(=O)N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.