(1R,5S)-8-デメチルトロパン-3α-オール

Nortropine

HCID 73480
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
538-09-0
標準SMILES
OC1C[C@H]2CC[C@@H](C1)N2
InChIKey
YYMCYJLIYNNOMK-MEKDEQNOSA-N
分子式
C7H13NO
平均分子量
127.18 g/mol
単同位体質量
127.09971404

名称と識別子

優先名称
Nortropine
IUPAC
(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol
現地名
(1R,5S)-8-デメチルトロパン-3α-オール
英語名
Nortropine
分子式
C7H13NO
分子量
127.18

名称と別名

Nortropine538-09-0DTXSID701318429RefChem:854764DTXCID301748240exo-8-Azabicyclo[3.2.1]octan-3-ol501-33-7ENDO-8-AZABICYCLO[3.2.1]OCTAN-3-OL(1R,3R,5S)-8-azabicyclo[3.2.1]octan-3-olMFCD00047140Nortropenol(1r,5s)-8-azabicyclo[3.2.1]octan-3-ol
名称をさらに表示
(1β,5β)-8-アザビシクロ[3.2.1]オクタン-3α-オールノルトロピン(1R,5S)-8-デメチルトロパン-3α-オールトロピゲニン(1R,5S)-8-アザビシクロ[3.2.1]オクタン-3α-オール8-アザビシクロ[3.2.1]オクタン-3-オール(1R,3R,5S)-8-アザ-ビシクロ[3.2.1]オクタン-3-オール(1S,5R)-8-アザ-ビシクロ[3.2.1]オクタン-3-オールNortropinNSC 72850TropigeninTropigenineNOR-TROPANOL
(1R,3S,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-OL(3-endo)-8-Azabicyclo[3.2.1]octan-3-ol(1S,5R)-8-AZABICYCLO[3.2.1]OCTAN-3-OLMFCD017112478-Azabicyclo(3.2.1)octan-3-ol, endo-Nortropidine, 2,3-dihydro-3-hydroxy-1alpha-H,5alpha-H-Nortropan-3alpha-olNortropeno Hydrochloride

データベース識別子

CAS
538-09-0
PubChem CID
73480
EC Number
700-286-3
Nikkaji
J12.188F、J86.691A

物性

構造計算による物性

XLogP
0.3
極性表面積
32.3 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
9

実験および物理化学的性質

Kovats Retention Index1160

物理化学的性質

融点
108 · 108-110°C
沸点
229.6 °C · 229.6 °C
比重(密度)
1.096 · 1.096
屈折率
1.52 · 1.52
闪点
116.8 °C · 116.8 °C
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性Light Tan Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H303 (12.5%): May be harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 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.

危険有害性情報

Regulatory InformationStatus: Active Update: 03-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27381；Status: Active Update: 15-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1042
Hazard Classes and CategoriesAcute Tox. 4 (75%)；Acute Tox. 5 (12.5%)；Acute Tox. 4 (12.5%)；Eye Irrit. 2 (12.5%)；Acute Tox. 4 (12.5%)

法規制情報

Regulatory InformationStatus: Active Update: 03-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27381；Status: Active Update: 15-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1042

安全データ

rtecs
RD0700000
hs_code
2904200090

化学と産業

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

補足説明

定義Nortropine, also known as Nortropenol, is isolated from the total alkaloids of Convolvulus subhirsutus. This compound is an intermediate in tropine breakdown and reactions leading to succinate.

関連反応

3 件
反応記録を作成

化合物ノート

読み込み中…