Myosmine

HCID 442649CAS 532-12-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
c1cncc(C2=NCCC2)c1
InChIKey
DPNGWXJMIILTBS-UHFFFAOYSA-N
분자식
C9H10N2
평균 분자량
146.19 g/mol
단동위원소 질량
146.08439833

이름 및 식별자

우선 이름
Myosmine
IUPAC
3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
영어명
MYOSMINE
분자식
C9H10N2
분자량
146.19

이름 및 동의어

Myosmine532-12-73-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine3-(1-Pyrrolin-2-yl)pyridine2-(3-Pyridyl)-1-pyrrolinePyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-CHEBI:7051DTXSID708918669O0A545W4LRefChem:160358DTXCID001009059637-297-7
이름 더 보기
NICOTINE RELATED COMPOUND DMYOSIMEyosmineMYSOMINEMyosmingBrn 0119254MYOSMINE(RG)
MFCD00052019MiosmineNicotine EP Impurity D3-(1-PYRROLIN-2-YL)-PYRIDINE3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridineCHEMBL4234293-(2-Pyrrolin-2-yl)pyridinePyridine, 3-(1-pyrrolin-2-yl)-

데이터베이스 식별자

CAS
532-12-7
PubChem CID
442649
DTXSID
DTXSID70891866
ChEMBL
CHEMBL423429
ChEBI
CHEBI:7051
UNII
9O0A545W4L
EC Number
637-297-7
Nikkaji
J11.722F

물성

구조 계산 물성

XLogP
0.6
극성 표면적
25.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Melting Point40.5 - 42 °C
Physical DescriptionSolid
Kovats Retention Index1427.3
Collision Cross Section · 2건

128.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

130.49 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；127.92 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
42 · 42-44°C
끓는 점
82 · 82-83°C 0,5mm
밀도
1.12 · 1.12±0.1 g/cm3(Predicted)
인화점
82 · 82-83°C/0.5mm
저장 조건
2 · 2-8°C
용해도
메탄올(약간), 물(적당)에 용해됨

화학적 성질

Light Yellow Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 24-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34234
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.8%)

규제 정보

Regulatory InformationStatus: Active Update: 24-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34234

안전 데이터

wgk
3
rtecs
UT7660000
HS 번호
29399990
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-36

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular
응용 분야 · 2건

개요The alkaloids found in tobacco smoke may be separated into those which are volatile in steam and those which are non-volatile. Myosmine occurs in the former group and, although only present in small quantities, is the most fully investigated of these bases. The alkaloid is normally obtained as an oily liquid which may be crystallized. It is optically inactive and readily soluble in light petroleum or Et20. It forms a hydrochloride as a microcrystalline powder which, on sublimation yields colourless rods, m.p. ISS-8°C. The dihydrochloride, also a microcrystalline powder, yields colourless needles on sublimation, m.p. 1S0- 17 Soc. The base also furnishes a dipicrate, m.p. 182-3°C (dec.) and a dipi_x0002_crolonate, m.p. 204°C (dec.). On dehydrogenation it gives 2-(3'-pyridyl)-pyrrole (picrate, m.p. 200°C) identical with that obtained in a similar manner from nornicotine. According to Woodward and his colleagues, the alkaloid is one of several products formed when nicotine is dehydrogenated over prepared quartz at S70°C. It is readily hydrolyzed in H20 to yield 3-pyridyl-r-aminopropyl ketone, forming a crystalline phenylhydrazone, m.p. 20l-2°C.

용도Myosmine is an alkaloid found in tobacco. Myosmine has been suspected to be a tobacco-independent carcinogenic source.

상·하류 제품 정보

공급사50 곳

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

관련 반응

11건
반응 기록 만들기

연결된 노트

불러오는 중…