(+/-)-2-아자비사이클로(2.2.1)헵트-5-EN-3-one

2-Azabicyclo(2.2.1)hept-5-en-3-one

HCID 548678CAS 49805-30-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1NC2C=CC1C2
InChIKey
DDUFYKNOXPZZIW-UHFFFAOYSA-N
분자식
C6H7NO
평균 분자량
109.13 g/mol
단동위원소 질량
109.05276384

개요

structure given in first source

이름 및 식별자

우선 이름
2-Azabicyclo(2.2.1)hept-5-en-3-one
IUPAC
2-azabicyclo[2.2.1]hept-5-en-3-one
현지명
(+/-)-2-아자비사이클로(2.2.1)헵트-5-EN-3-one
영어명
2-Azabicyclo[2.2.1]hept-5-en-3-one
분자식
C6H7NO
분자량
109.13

이름 및 동의어

2-Azabicyclo[2.2.1]hept-5-en-3-oneDTXSID408685052-Azabicyclo(2.2.1)hept-5-en-3-oneRefChem:909642DTXCID80816606610-480-92-Abheo63838-48-249805-30-3Peramivir Impurity 26MFCD00213364(R,S)-2-Azabicyclo(2.2.1)hept-5-en-3-one
이름 더 보기
(+/-)-2-아자비사이클로(2.2.1)헵트-5-EN-3-one(+/-)-2-아자비사이클로(2.2.1)헵트-5-EN-3-one((+/-)-2-AZABICYCLO(2.2.1)...2-아자비시클로[2.2.1]헵트-5-엔-3-온vince lactamAzabicyclo2-AzabicycL2-Azabicyclo[21]hept-5-en-3-one2-Azabicyclo[2.2.1]hAzabicyclo[3.2.2]nonane(+/-)-2-Azabicyclo[2.2.1]hept-Azabicyclo[2,2,1]hept-5-en-3-one2-Azabicyclo(2,2,1,)hept-5-en-3-on
4-Amino-2-cyclopentene-1-carboxylic acid lactam(+/-)-2-Azabicyclo[2.2.1]hept-5-en-3-oneSB18484(-)-2-azabicyclo [2.2.1] hept-5-en-3onerac 2-Azabicyclo[2.2.1]hept-5-en-3-one(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one3-azabicyclo[2.2.1]hept-5-en-2-one3-Oxo-2-azabicyclo[2.2.1]hept-5-ene

데이터베이스 식별자

CAS
49805-30-3、61865-48-3
PubChem CID
548678
DTXSID
DTXSID40868505
EC Number
421-830-3、610-480-9
Nikkaji
J277.618I

물성

구조 계산 물성

XLogP
0.1
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

물리화학적 성질

녹는점
54 · 54-58 °C(lit.)
끓는 점
102 · 102-106 °C0.25 mm Hg(lit.)
밀도
1.1143 · 1.1143 (rough estimate)
증기압
0.3 · 0.3-1.06Pa at 25-40℃
굴절률
1.504 · 1.5040 (estimate)
인화점
230 °F · >230 °F

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 08-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/13955
Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk
1
HS 번호
29337900
risk_code
36/37/38-43-22
hazard_code
Xi,Xn
safety_code
26-36-36/37
Hazard Classifications
Acute Tox. 4 OralSkin Sens. 1

화학 및 산업

응용 분야 · 2건

용도Abacavir intermediate. 2-Azabicyclo[2.2.1]hept-5-en-3-one is used as an intermediate in the synthesis of carbocyclic sugar amines, carbanucleosides, and carbocyclic dinucleotide analogues.

일반 설명2-Azabicyclo[2.2.1]hept-5-en-3-one is also referred as vince lactam. It is a versatile intermediate in the synthesis of carbocyclic nucleosides. 2-Azabicyclo[2.2.1]hept-5-en-3-one and its monohydrated complex was investigated in a supersonic jet by Fourier transform microwave spectroscopy.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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