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HCID 5744546Erstellt: 27. Oktober 2026

3-Amino-1-(diphenylmethyl)azetidine

1-BENZHYDRYLAZETIDIN-3-AMINE · Compound FL0008 · BUTTPARK 92\50-95 · 3-amino-1-benzhylazetidine · 3-Amino-1-(diphenylmethyl... · 3-AMINO-1-BENZHYDRYLAZETIDINE · 1-BENZHYDRYL-3-AMINOAZETIDINE · 3-Amino-1-Diphenylmethylazetid

https://huagongshe.com/de/chemical/5744546

Molekülstruktur von 3-Amino-1-(diphenylmethyl)azetidine

Identifikatoren & physikalische Daten

CAS No.	40432-52-8
Summenformel	C16H18N2
Durchschnittliche Molmasse	238,33 g/mol
Monoisotopische Masse	238,14699858 g/mol
SMILES	NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey	LYTNNHXGUOKXFI-UHFFFAOYSA-N
PubChem CID	5744546
EC No.	640-915-8
DTXSID	DTXSID40960831

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	29,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	18
Formalladung	0
Komplexität	230
Schmelzpunkt	63 °C
Siedepunkt	339.2±42.0 °C(Predicted)
Dichte	1.125±0.06 g/cm3(Predicted)
Lagerbedingungen	Storage temp. 2-8°C
pKa (Säurekonstante)	8.48±0.20(Predicted)
Aggregatzustand	powder to crystal
Farbe	White to Orange to Green
InChI	InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
InChIKey	LYTNNHXGUOKXFI-UHFFFAOYSA-N
SMILES	N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(N)C1
CAS Datenbank	40432-52-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (66.7%): 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]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 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.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (66.7%)
Zollcode	2933998090

CAS No.

40432-52-8

Summenformel

C16H18N2

Durchschnittliche Molmasse

238,33 g/mol

Monoisotopische Masse

238,14699858 g/mol

SMILES

NC1CN(C(c2ccccc2)c2ccccc2)C1

InChIKey

LYTNNHXGUOKXFI-UHFFFAOYSA-N

PubChem CID

5744546

EC No.

640-915-8

DTXSID

DTXSID40960831

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

29,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

230

Schmelzpunkt

63 °C

Siedepunkt

339.2±42.0 °C(Predicted)

Dichte

1.125±0.06 g/cm3(Predicted)

Lagerbedingungen

Storage temp. 2-8°C

pKa (Säurekonstante)

8.48±0.20(Predicted)

Aggregatzustand

powder to crystal

Farbe

White to Orange to Green

InChI

InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2

InChIKey

LYTNNHXGUOKXFI-UHFFFAOYSA-N

SMILES

N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(N)C1

CAS Datenbank

40432-52-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (66.7%): 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]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 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.

Hazard Classes and Categories

Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (66.7%)

Zollcode

2933998090