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HCID 31018Erstellt: 27. Oktober 2026

Picolamin

pyridin-3-ylmethanamine · Picolamine · 3-PICOLYLAMINE · 3AMPY · NSC 59706 · Picolamin · -Aminomethyl · m-Picolylamine

https://huagongshe.com/de/chemical/31018

Identifikatoren & physikalische Daten

CAS No.	3731-52-0
Summenformel	C6H8N2
Durchschnittliche Molmasse	108,14 g/mol
Monoisotopische Masse	108,06874826 g/mol
SMILES	NCc1cccnc1
InChIKey	HDOUGSFASVGDCS-UHFFFAOYSA-N
PubChem CID	31018
ChEMBL	CHEMBL1988272
EC No.	223-091-0
DTXSID	DTXSID2044424
Lokaler Name	Picolamin

Chemische & physikalische Eigenschaften

XLogP	-0,3
Polarare Oberfläche (TPSA)	38,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	8
Formalladung	0
Komplexität	63,5
LogP (Verteilungskoeffizient)	-0.1
Collision Cross Section	119.6 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2044424]
Schmelzpunkt	−21 °C(lit.)
Siedepunkt	73-74 °C1 mm Hg(lit.)
Dichte	1.062 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.551(lit.)
Flammpunkt	213 °F
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Chloroform, Ethyl Acetate, MethanolFREELY SOLUBLE
pKa (Säurekonstante)	8.34±0.29(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
pH	11-12 (100g/l, H2O, 20℃)
BRN	108056
Henry-Konstante	4.3×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI	1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
InChIKey	HDOUGSFASVGDCS-UHFFFAOYSA-N
SMILES	NCc1cccnc1
CAS Datenbank	3731-52-0(CAS DataBase Reference)
NIST chemische Informationen	Picolamine(3731-52-0)
EPA chemische Informationen	3-Pyridinemethanamine (3731-52-0)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH290 (16%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 10-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/323113-(Aminomethyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Met. Corr. 1 (16%)
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)PicolamineDILI PositiveDOI:10.1016/j.drudis.2019.09.022
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2735 8/PG 2
Zollcode	29333999
R-Sätze (R)	34-37-36/37/38
Gefahrensymbole	C,Xi
hazard_note	Irritant
Sicherheitshinweise (S)	26-36/37/39-45-25-36
Gefahrenklasse	8Eye Dam. 1Met. Corr. 1Skin Corr. 1B
Verpackungsgruppe	III
Lagerklasse	8A - Combustible corrosive hazardous materials

CAS No.

3731-52-0

Summenformel

C6H8N2

Durchschnittliche Molmasse

108,14 g/mol

Monoisotopische Masse

108,06874826 g/mol

SMILES

NCc1cccnc1

InChIKey

HDOUGSFASVGDCS-UHFFFAOYSA-N

PubChem CID

31018

ChEMBL

CHEMBL1988272

EC No.

223-091-0

DTXSID

DTXSID2044424

Lokaler Name

Picolamin

Chemische & physikalische Eigenschaften

XLogP

-0,3

Polarare Oberfläche (TPSA)

38,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

63,5

LogP (Verteilungskoeffizient)

-0.1

Collision Cross Section

119.6 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2044424]

Schmelzpunkt

−21 °C(lit.)

Siedepunkt

73-74 °C1 mm Hg(lit.)

Dichte

1.062 g/mL at 25 °C(lit.)

Brechungsindex

n20/D 1.551(lit.)

Flammpunkt

213 °F

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

Löslichkeit

soluble in Chloroform, Ethyl Acetate, MethanolFREELY SOLUBLE

pKa (Säurekonstante)

8.34±0.29(Predicted)

Aggregatzustand

clear liquid

Farbe

Colorless to Light yellow

11-12 (100g/l, H2O, 20℃)

BRN

108056

Henry-Konstante

4.3×102 mol/(m3Pa) at 25℃, Du et al. (2017)

InChI

1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2

InChIKey

HDOUGSFASVGDCS-UHFFFAOYSA-N

SMILES

NCc1cccnc1

CAS Datenbank

3731-52-0(CAS DataBase Reference)

NIST chemische Informationen

Picolamine(3731-52-0)

EPA chemische Informationen

3-Pyridinemethanamine (3731-52-0)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH290 (16%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Status: Active Update: 10-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/323113-(Aminomethyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Met. Corr. 1 (16%)

Drug Induced Liver Injury

Drug-Induced Liver Injury Severity and Toxicity (DILIst)PicolamineDILI PositiveDOI:10.1016/j.drudis.2019.09.022

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

UN-Transportnummer

UN 2735 8/PG 2

Zollcode

29333999

R-Sätze (R)

34-37-36/37/38

Gefahrensymbole

C,Xi

hazard_note

Irritant

Sicherheitshinweise (S)

26-36/37/39-45-25-36

Gefahrenklasse

8Eye Dam. 1Met. Corr. 1Skin Corr. 1B

Verpackungsgruppe

III

Lagerklasse

8A - Combustible corrosive hazardous materials