N-메틸-2-피페리돈

N-Methyl-2-piperidone

HCID 13603CAS 931-20-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCCC1=O
InChIKey: GGYVTHJIUNGKFZ-UHFFFAOYSA-N
분자식: C6H11NO
평균 분자량: 113.16 g/mol
단동위원소 질량: 113.08406397

이름 및 식별자

우선 이름: N-Methyl-2-piperidone
IUPAC: 1-methylpiperidin-2-one
현지명: N-메틸-2-피페리돈
영어명: 1-Methyl-2-piperidone
분자식: C6H11NO
분자량: 113.16

이름 및 동의어

1-Methyl-2-piperidone931-20-4N-Methyl-2-piperidone2-Piperidinone, 1-methyl-1-Methyl-2-piperidinoneN-Methylvalerolactam2-Piperidone, 1-methyl-1-Methylpiperidine-2-oneN-METHYL-2-PIPERIDINONENSC 67384BRN 00017081T6L7S01J4

이름 더 보기

N-메틸-2-피페리돈1-메틸-2-피페리돈1-methyl-2-piperidinon1-methyl-2-piperidon1-Methylpiperidin-2-on2-Piperidone,1-methyl-

EINECS 213-231-9AI3-11535NSC-673845-21-06-00398 (Beilstein Handbook Reference)DTXSID7061308RefChem:830403DTXCID40488541-Methylpiperidin-2-one

데이터베이스 식별자

CAS: 931-20-4
PubChem CID: 13603
DTXSID: DTXSID7061308
ChEMBL: CHEMBL12011
UNII: 1T6L7S01J4
EC Number: 213-231-9
Nikkaji: J109.354A

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

끓는 점: 105 · 105-106 °C12 mm Hg(lit.)
밀도: 1.029 g/mL · 1.029 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.482
인화점: 196 °F · 196 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -0.41 · -0.41±0.20(Predicted)
물리적 상태: liquid
BRN: 1708 · 1708
InChI: 1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
InChIKey: GGYVTHJIUNGKFZ-UHFFFAOYSA-N
SMILES: CN1CCCCC1=O
EPA: 2 · 2-Piperidinone, 1-methyl- (931-20-4)

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.