3-(piperidin-1-yl)propan-1-amine

• ChemBase ID: 17462
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCCN)CCCCC1
• Canonical SMILES: NCCCN1CCCCC1
• InChI: InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2
• InChIKey: JMUCXULQKPWSTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(piperidin-1-yl)propan-1-amine
• Synonyms: 3-Piperidin-1-yl-propylamine; 3-(Piperidin-1-yl)propylamine 97%; 3-Piperidinopropylamine; N-(3-Aminopropyl)piperidine; 3-piperidin-1-ylpropan-1-amine; 3-(N-PIPERADINO)PROPYLAMINE; 3-哌啶丙胺; 1-(3-氨丙基)哌啶

Database IDs

• CAS Number: 3529-08-6
• EC Number: 222-557-0
• MDL Number: MFCD00023784
• PubChem SID: 160980769
• PubChem CID: 19049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3878226
• LogD (pH = 7.4): -3.2768192
• Log P: 0.30351153
• Molar Refractivity: 44.9453 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Boiling Point: 84-86°C
• Flash Point: 179.6 °F; 82 °C
• Density: 0.895 g/mL at 25 °C
• Refractive Index: n20/D 1.476
• Hydrophobicity(logP): 1.113

Safety Information

• Storage Warning: Corrosive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C8H18N2

DETAILS

MP Biomedicals - 05217599

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 694134

Packaging
5 g in glass bottle
Application
Reactant for synthesis of:
• A chemotype that inhibits Botulinum neurotoxin serotype A light chain, P. falciparum Malaria, and Ebola filovirus1
• Membrane targeting antibiotics2
• 5-HT3A receptor antagonists3
• Histamine H3 antagonists4
• Berberine derivatives for stabilization of G-quadruplex DNA and down regulation of oncogene c-myc5Reactant for incorporation of basic side chains into cryptolepine scaffold for antimalarial activity6