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HCID 80296Erstellt: 1. November 2026

Propanediaminetetraacetic acid

1,3-PDTA · 1,3-PROPYLENEDIAMINETETRAACETIC ACID · Glycerol Impurity 56 · 1,3-propylenediaminetetraaceti · Propylenediamintetraacetic acid · 1,3-Propylendiamintetraessigsure · 1,3-propylenediaminetetracetic acid · 1,3-Diaminopropane tetraacetic acid

https://huagongshe.com/de/chemical/80296

Molekülstruktur von Propanediaminetetraacetic acid

Identifikatoren & physikalische Daten

CAS No.	1939-36-2
Summenformel	C11H18N2O8
Durchschnittliche Molmasse	306,27 g/mol
Monoisotopische Masse	306,10631554 g/mol
SMILES	O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIKey	DMQQXDPCRUGSQB-UHFFFAOYSA-N
PubChem CID	80296
ChEMBL	CHEMBL1863868
EC No.	400-400-9
DTXSID	DTXSID9029225

Chemische & physikalische Eigenschaften

XLogP	-5,5
Polarare Oberfläche (TPSA)	156
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	12
Schwere Atome	21
Formalladung	0
Komplexität	330
SpringerMaterials Properties	Electrical resistivity
Schmelzpunkt	~250 °C (dec.)
Siedepunkt	620.5±55.0 °C(Predicted)
Dichte	1.507±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Soluble in water
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	1.45±0.10(Predicted)
Farbe	White to Almost white
BRN	1716449
InChI	InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey	DMQQXDPCRUGSQB-UHFFFAOYSA-N
SMILES	C(N(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
CAS Datenbank	1939-36-2(CAS DataBase Reference)
EPA chemische Informationen	Trimethylenediaminetetraacetic acid (1939-36-2)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Chemical: Glycine, N,N'-1,3-propanediylbis(N-(carboxymethyl)-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: N,N'-propylene-1,3-diylbis[N-(hydroxycarbonylmethyl)glycine] (EC: 400-400-9)Glycine, N,N'-1,3-propanediylbis[N-(carboxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4Acute Tox. 4 *
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN3077 9/PG 3
Zollcode	2922.49.8000
RTECS-Nr.	MC1082500
R-Sätze (R)	22-41-50/53-62-63
Gefahrensymbole	Xn,N
Sicherheitshinweise (S)	22-26-39-60-61-36/37
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Dam. 1Repr. 2

CAS No.

1939-36-2

Summenformel

C11H18N2O8

Durchschnittliche Molmasse

306,27 g/mol

Monoisotopische Masse

306,10631554 g/mol

SMILES

O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O

InChIKey

DMQQXDPCRUGSQB-UHFFFAOYSA-N

PubChem CID

80296

ChEMBL

CHEMBL1863868

EC No.

400-400-9

DTXSID

DTXSID9029225

Chemische & physikalische Eigenschaften

XLogP

-5,5

Polarare Oberfläche (TPSA)

156

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

330

SpringerMaterials Properties

Electrical resistivity

Schmelzpunkt

~250 °C (dec.)

Siedepunkt

620.5±55.0 °C(Predicted)

Dichte

1.507±0.06 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

Löslichkeit

Soluble in water

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

1.45±0.10(Predicted)

Farbe

White to Almost white

BRN

1716449

InChI

InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

InChIKey

DMQQXDPCRUGSQB-UHFFFAOYSA-N

SMILES

C(N(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O

CAS Datenbank

1939-36-2(CAS DataBase Reference)

EPA chemische Informationen

Trimethylenediaminetetraacetic acid (1939-36-2)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Regulatorische Informationen

Chemical: Glycine, N,N'-1,3-propanediylbis(N-(carboxymethyl)-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: N,N'-propylene-1,3-diylbis[N-(hydroxycarbonylmethyl)glycine] (EC: 400-400-9)Glycine, N,N'-1,3-propanediylbis[N-(carboxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Acute Tox. 4 (100%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4Acute Tox. 4 *

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

UN-Transportnummer

UN3077 9/PG 3

Zollcode

2922.49.8000

RTECS-Nr.

MC1082500

R-Sätze (R)

22-41-50/53-62-63

Gefahrensymbole

Xn,N

Sicherheitshinweise (S)

22-26-39-60-61-36/37

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Acute Tox. 4 OralEye Dam. 1Repr. 2