4-(Pyrrolidin-1-yl)benzylamine

HCID 7017834

Grundinformationen

CAS
114365-04-7
Standard-SMILES
NCc1ccc(N2CCCC2)cc1
InChIKey
OCVQUKOCFUOCBM-UHFFFAOYSA-N
Summenformel
C11H16N2
Durchschnittliche Molmasse
176,26 g/mol
Monoisotopische Masse
176,13134852

Namen und Bezeichner

Bevorzugter Name
4-(Pyrrolidin-1-yl)benzylamine
IUPAC
(4-pyrrolidin-1-ylphenyl)methanamine
Englischer Name
4-(PYRROLIDIN-1-YL)BENZYLAMINE
Summenformel
C11H16N2
Molmasse
176.26

Namen und Synonyme

4-(pyrrolidin-1-yl)benzylamineRefChem:516876641-311-7(4-(pyrrolidin-1-yl)phenyl)methanamine114365-04-74-Pyrrolidin-1-yl-benzylamine(4-pyrrolidin-1-ylphenyl)methanamine[4-(1-pyrrolidinyl)phenyl]methanamineMFCD04971090[4-(pyrrolidin-1-yl)phenyl]methanamineBenzenemethanamine, 4-(1-pyrrolidinyl)-1-[4-(pyrrolidin-1-yl)phenyl]methanamine
Weitere Namen anzeigen
ST5334145AKOS B022103ART-CHEM-BB B022103(4-(Pyrrolidin-1-yl)4-(Pyrrolidin-1-yl)benzylamine97%4-(Pyrrolidin-1-yl)benzylamine 97%[4-(1-PYRROLIDINYL)PHENYL]METHYLAMINE
(4-pyrrolidinylphenyl)methylamine4-pyrrolidinobenzylamineSCHEMBL1125804-(1-pyrrolidinyl)benzylamineSCHEMBL4573969SCHEMBL27585374DTXSID40426907OCVQUKOCFUOCBM-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
114365-04-7
PubChem CID
7017834
DTXSID
DTXSID40426907
EC Number
641-311-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
29,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
47 · 47-50°
Siedepunkt
327 · 327.0±25.0 °C(Predicted)
Dichte
1.075 · 1.075±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
9.66 · 9.66±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Dam. 1 (50%);Acute Tox. 4 (50%);STOT SE 3 (50%)

Sicherheitsdaten

ridadr
UN3259
hs_code
2933998090
hazard_code
C,Xi
hazard_note
Corrosive
hazard_class
IRRITANT

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter41 Anbieter

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

Zugehörige Reaktionen

10

Notizen zur Verbindung

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