2-아제티디논

2-Azetidinone

HCID 136721

기본 정보

CAS: 930-21-2
표준 SMILES: O=C1CCN1
InChIKey: MNFORVFSTILPAW-UHFFFAOYSA-N
분자식: C3H5NO
평균 분자량: 71.08 g/mol
단동위원소 질량: 71.03711378

개요

Beta-lactam is a lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.

이름 및 식별자

우선 이름: 2-Azetidinone
IUPAC: azetidin-2-one
현지명: 2-아제티디논
영어명: 2-Azetidinone
분자식: C3H5NO
분자량: 71.08

이름 및 동의어

azetidin-2-one2-Azetidinone930-21-2beta-PropiolactamAzetidinonePropiolactamCHEBI:327119DTXSID30239225RefChem:85518DTXCID50161716628-180-1beta-Lactam

이름 더 보기

2-아제티디논2-AzetidoneAZETAN-2-ONE2-Azetidinone 98%Azetidin-2-one 98%2-AZACYCLOBUTANONE

MFCD00013328CHEMBL344042CHEBI:35627beta-Lactams2-Azetdinoneazetidine-2-one2-Azetidinone, 98%Epitope ID:117418

데이터베이스 식별자

CAS: 930-21-2
PubChem CID: 136721
DTXSID: DTXSID30239225
ChEMBL: CHEMBL344042
ChEBI: CHEBI:35627
EC Number: 628-180-1
Nikkaji: J80.017A

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 59.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials PropertiesCoriolis coupling

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 74 · 74-76 °C (lit.)
끓는 점: 106 °C/15 · 106 °C/15 mmHg (lit.)
밀도: 1.0347 · 1.0347 (rough estimate)
굴절률: 1.4035 · 1.4035 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름: 매우 용해됨(lit.)
물리적 상태: 액체
산도 계수 (pKa): 15.86 · 15.86±0.20(Predicted)
색상: 투명한
BRN: 104563 · 104563
InChI: InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
InChIKey: MNFORVFSTILPAW-UHFFFAOYSA-N
SMILES: N1CCC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: No
ridadr: UN 3263 8/PG 2
HS 번호: 2933998090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Keep Cold
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Azetidinone was used in synthesis of optically pure densely functionalized γ-lactams.

일반 설명2-Azetidinone is an unsubstituted four membered lactam. 2-Azetidinone is the fundamental building block of β-lactam antibiotics. X-ray photoelectron spectra of 2-azetidinone was investigated. 2-Azetidinone undergoes hydrolysis with aqueous alkali to yield β-alanine.