CAS 78-90-0|propane-1,2-diamine|1,2-DIAMINOPROPANE|propylenediamine|Propane-1,2-diamine|1,2-丙二胺|丙二胺|Propylenediamine|propane-1,2-diamine|1,2-Diaminopropane|1,2-二氨基丙烷|1,2-Propanediamine|1,...

InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3

AOHJOMMDDJHIJH-UHFFFAOYSA-N

LogD (pH = 7.4)

-3.52

LogD (pH = 5.5)

-5.63

Log P

-1.01

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.83

Polar Surface Area

52.04

Polarizability

8.94

Molar Refractivity

22.29

LOG S

0.56

1,2-DIAMINOPROPANE1,2-丙二胺丙二胺Propylenediaminepropane-1,2-diamine1,2-Diaminopropane1,2-二氨基丙烷1,2-Propanediamine丙二胺1,2-二氨基丙烷Propylenediamine1,2-Diaminopropane1-methylethylenediaminepropylenediamine1,2-propanediaminepropylenediamine1,2-Diaminopropanepn

IUPAC Traditional name

IUPAC Systematic name

MetaboLights Database

PubMed Citation Links

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05215962

MP Biomedicals Rare Chemical collection

117498

Packaging
100, 500 g in glass bottle
2 kg in glass bottle

CHEBI:30630

A diamine that is propane substituted by amino groups at positions 1 and 2. Propylenediamine is commonly used as a bidentate ligand in the formation of coordination complexes.

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Names and Identifiers

IUPAC name

propane-1,2-diamine

Synonyms

IUPAC Traditional name

propylenediamine

IUPAC Systematic name

Propane-1,2-diamine

Registration numbers

CAS Number

EC Number

PubChem CID

CHEBI ID

Gmelin ID

Chemspider ID

Wikipedia Title

MeSH Name

Beilstein Number

PubChem SID

162089260248473328148087

MDL Number

MFCD00008089

Golm Database

41d9d9ef-7685-4142-a5a4-fd3f6c84b621336cdd6e-d029-4778-93e1-0629da70c04d

MetaboLights Database

MTBLS150MTBLS1079MTBLS2406MTBLS1561

SureChEMBL Database

CompTox Database

BRENDA Database

NMRShiftDB Database

ACToR Database

Patent number

WO2006039639EP1422218EP1420021US2005085555EP1514905US2003013772

MetaCyc Database

CPD-12574

CHEMBL

CHEMBL1319459

Reaxys Registry

605274

PubMed Citation Links

HMDB Database

Molecule Details

MP Biomedicals Rare Chemical collection

Wikipedia

1,2-Diaminopropane

Sigma Aldrich

117498

Packaging
100, 500 g in glass bottle
2 kg in glass bottle

ChEBI

CHEBI:30630

A diamine that is propane substituted by amino groups at positions 1 and 2. Propylenediamine is commonly used as a bidentate ligand in the formation of coordination complexes.

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

0.87 g/mL at 25 °C(lit.)

0.868 g/mL at 20 °C(lit.)

Std enthalpy of combustion

-2.5122–-2.5116 MJ mol^-1

Std molar entropy

247.27 J K^-1 mol^-1

Odor

Fishy, ammoniacal

Apperance

Colourless liquid

Std enthalpy of formation

-98.2–-97.4 kJ mol^-1

Vapor Pressure

1.9 Pa (at 20 °C)

14 mmHg ( 20 °C)

Auto Ignition Point

360 °C

680 °F

Flash Point

34 °C

93.2 °F

Heat Capacity

205.64 J K^-1 mol^-1

Refractive Index

1.446

n20/D 1.446(lit.)

n20/D 1.446

Vapor Density

2.6 (vs air)

Impurities

≤0.5% water

Grade

purum

puriss.

European Hazard Symbols

GHS Hazard statements

GHS Precautionary statements

Personal Protective Equipment

German water hazard class

Certificate of Analysis

Molecule

ID:110698