HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3-Propanediamine
Propane-1,3-diamine · 1,3-PROPANEDIAMINE · TRIMETHYLENEDIAMINE · H2N(CH2)3NH2 · 13DAP · 3-Propanediamine · 1,3-DiaMinopropane, 99% 1LT · FENTAMINE PDA
Identifiers & Physical Properties
| CAS No. | 109-76-2 |
|---|---|
| Molecular formula | C3H10N2 |
| Average molar mass | 74.13 g/mol |
| Monoisotopic mass | 74.08439832 g/mol |
| SMILES | NCCCN |
| InChIKey | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| PubChem CID | 428 |
| ChEMBL | CHEMBL174324 |
| ChEBI | CHEBI:15725 |
| EC No. | 203-702-7 |
| DTXSID | DTXSID1021906 |
Chemical & Physical Properties
| XLogP | -1.4 |
|---|---|
| Topological polar surface area | 52 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 12.4 |
| Chemical classes | Nitrogen Compounds -> Amines, Aliphatic |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (partition coefficient) | -1.43 |
| Density | 0.881 at 68 °F (NTP, 1992) - Less dense than waterwill float0.8881 @25 °C0.888 g/mL at 25 °C(lit.) |
| Solubility | Soluble (NTP, 1992)DMSO (Slightly), Methanol (Slightly) |
| Flash point | 75 °F (NTP, 1992)120 °F |
| Boiling point | 275.9 °F at 738 mmHg (NTP, 1992)139.80 °C. @ 760.00 mm Hg140 °C(lit.) |
| Melting point | 10 °F (NTP, 1992)-12 °C |
| Vapor density | 2.5 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Vapor pressure | 11.5 [mmHg]<8 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)Colorless to yellow liquid with an amine odor[CHEMINFO (MSDS)] Colorless liquid with an odor of amines[CAMEO] |
| Refractive index | n20/D 1.458(lit.) |
| Storage conditions | Store below +30°C. |
| pKa (acidity coefficient) | 10.94(at 10℃) |
| Physical state | Liquid |
| Color | Clear |
| pH | >12 (100g/l, H2O, 20℃) |
| Explosive limits | 2.8-15.2%(V) |
| Sensitivity | Air Sensitive |
| BRN | 605277 |
| Dielectric constant | 9.6(Ambient) |
| Stability | Stable. Hygroscopic. Flammable - readily forms explosive mixtures with air. Incompatible with acid anhydrides, acid chlorides, acids, strong oxidizing agents. |
| InChI | 1S/C3H10N2/c4-2-1-3-5/h1-5H2 |
| InChIKey | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| SMILES | NCCCN |
| LogP (partition coefficient) | -1.05 at 25℃ |
| CAS DataBase Reference | 109-76-2(CAS DataBase Reference) |
| Indirect Additives used in Food Contact Substances | TRIMETHYLENEDIAMINE |
| FDA 21 CFR | 176.180177.1200 |
| EWG's Food Scores | 1 |
| FDA UNII | CB3ISL56KG |
| NIST Chemistry Reference | 1,3-Propanediamine(109-76-2) |
| EPA Substance Registry System | 1,3-Diaminopropane (109-76-2) |
| UNSPSC Code | 12352116 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS05,GHS06,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H310-H301-H314-H402-H226 |
| GHS precautionary statements | P501-P273-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | T,C |
| Risk statements (R) | 10-22-24-35 |
| Safety statements (S) | 26-36/37/39-45-25-16 |
| UN transport number | UN 2922 8/PG 2 |
| Water hazard class (WGK) | 2 |
| RTECS number | TX6825000 |
| F | 34 |
| Autoignition temperature | 662 °F |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B |
| Packing group | III |
| Customs code | 29212900 |
| Storage class | 3 - Flammable liquids |
| Toxicity | LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatory information | Chemical: 1,3-Propanediamine1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/119781,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| DOT label | Corrosive Flammable Liquid |
| Fire hazards | This compound is a flammable liquid. (NTP, 1992) |
| Health hazards | ACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992) |
| Hazards summary | Corrosive to skin[Quick CPC] Highly irritating or corrosive to skin and eyes[NTP] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestionToxic by skin absorption[Alfa Aesar MSDS] |
| Reactive group | Amines, Phosphines, and Pyridines |
Applications & Uses
Uses
1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.
General Description
Water-white mobile liquid with an odor of amine.