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1939-36-2

1939-36-2 structural image
Product Name: 1,3-Propylenediaminetertaacetic acid
Formula: C11H18N2O8
Synonyms: Trimethylenediamine-N,N,N′,N′-tetraacetic acid
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H318:Serious eye damage/eye irritation
H361:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 306.27 g/mol
XLogP3 -5.5
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 12
Exact Mass 306.10631554 g/mol
Monoisotopic Mass 306.10631554 g/mol
Topological Polar Surface Area 156 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 330
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes