1,3-Propanediamine - ≥98% , CAS No.109-76-2

CAS: 109-76-2 Cat. No.: P103898 Formula: NH₂(CH₂)₃NH₂ Peso molecolare: 74.13 Beilstein Registry Number: 4261 Numero EC: 203-702-7

GRADE & PURITY ≥98%

Synonyms

BBL027701 | H2N(CH2)3NH2 | BRN 0605277 | C00986 | InChI=1/C3H10N2/c4-2-1-3-5/h1-5H | 1,3-Propanediamine | 4-04-00-01258 (Beilstein Handbook Reference) | NCGC00178092-01 | DIAMINOPROPANE, 1,3- | Spectrum_001150 | EN300-20409 | FT-0606614 | 1,3-Propane-d6-d

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Specifications

Sinonimi

BBL027701 | H2N(CH2)3NH2 | BRN 0605277 | C00986 | InChI=1/C3H10N2/c4-2-1-3-5/h1-5H | 1,3-Propanediamine | 4-04-00-01258 (Beilstein Handbook Reference) | NCGC00178092-01 | DIAMINOPROPANE, 1,3- | Spectrum_001150 | EN300-20409 | FT-0606614 | 1,3-Propane-d6-d

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged,Desiccated

Spedito in

FedEx DG Service

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504750388

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750388

Sorrisi canonici

C(CN)CN

IUPAC Name

propane-1,3-diamine

InChIKey

XFNJVJPLKCPIBV-UHFFFAOYSA-N

INCHI

1S/C3H10N2/c4-2-1-3-5/h1-5H2

Isomeri SMILES

C(CN)CN

WGK Germania

1

RTECS

TX6825000

Numero UN

2734

Gruppo di imballaggio

I

Peso molecolare

74.13

Beilstein

4261

Reaxy-Rn

605277

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605277&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (non umani)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

J774 (3120 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, methanol and ether.
• Sensibilità: Light & Air sensitive,Hygroscopic
• Indice di rifrazione: 1.458
• Punto di infiammabilità (°F): 123.8 °F
• Punto di infiammabilità (°C): 51℃
• Punto di ebollizione (°C): 140°C
• Punto di fusione (°C): -12°C
• Peso molecolare: 74.130 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 74.0844 Da
• Monoisotopic Mass: 74.0844 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-76-2, the molecular formula is C3H10N2, and the molecular weight is 74.13 g/mol. InChIKey XFNJVJPLKCPIBV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.