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HCID 3920849Erstellt: 4. November 2026

3-(1H-1,3-benzodiazol-1-yl)propan-1-amine

1H-BenziMidazole-1-propanaMine · 3-Benzimidazol-1-ylpropylamine · 3-BENZOIMIDAZOL-1-YL-PROPYLAMINE · 1H-benzo[d]imidazol-1-propanamine · 3-(1H-Benzimidazol-1-yl)propylamine · 1H-Benzimidazole-1-propanamine(9CI) · 3-(BENZOIMIDAZOLE-1-YL)-PROPYLAMINE · 3-(1H-Benzimidazol-1-yl)propan-1-amine

https://huagongshe.com/de/chemical/3920849

Molekülstruktur von 3-(1H-1,3-benzodiazol-1-yl)propan-1-amine

Identifikatoren & physikalische Daten

CAS No.	73866-15-6
Summenformel	C10H13N3
Durchschnittliche Molmasse	175,23 g/mol
Monoisotopische Masse	175,11094743 g/mol
SMILES	NCCCn1cnc2ccccc21
InChIKey	ZPIGBNBDPBKNCO-UHFFFAOYSA-N
PubChem CID	3920849
ChEMBL	CHEMBL1497364
EC No.	804-194-5
DTXSID	DTXSID40397966

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	43,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	160
Löslichkeit	>26.3 [ug/mL] (The mean of the results at pH 7.4)
Siedepunkt	337.3±44.0 °C(Predicted)
Dichte	1.17±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C, protect from light
pKa (Säurekonstante)	10.03±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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. 3 (95%)Skin Corr. 1B (100%)
R-Sätze (R)	25-34
Gefahrensymbole	T
Sicherheitshinweise (S)	26-36/37/39-45
Gefahrenklasse	IRRITANT

3-(1H-1,3-benzodiazol-1-yl)propan-1-amine

CAS No.

73866-15-6

Summenformel

C10H13N3

Durchschnittliche Molmasse

175,23 g/mol

Monoisotopische Masse

175,11094743 g/mol

SMILES

NCCCn1cnc2ccccc21

InChIKey

ZPIGBNBDPBKNCO-UHFFFAOYSA-N

PubChem CID

3920849

ChEMBL

CHEMBL1497364

EC No.

804-194-5

DTXSID

DTXSID40397966

Chemische & physikalische Eigenschaften

XLogP

0,8

Polarare Oberfläche (TPSA)

43,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

160

Löslichkeit

>26.3 [ug/mL] (The mean of the results at pH 7.4)

Siedepunkt

337.3±44.0 °C(Predicted)

Dichte

1.17±0.1 g/cm3(Predicted)

Lagerbedingungen

2-8°C, protect from light

pKa (Säurekonstante)

10.03±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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. 3 (95%)Skin Corr. 1B (100%)

R-Sätze (R)

25-34

Gefahrensymbole

Sicherheitshinweise (S)

26-36/37/39-45

Gefahrenklasse

IRRITANT