2-(piperidin-1-yl)ethan-1-amine

• ChemBase ID: 74296
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CCCCC1)CCN
• Canonical SMILES: NCCN1CCCCC1
• InChI: InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
• InChIKey: CJNRGSHEMCMUOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(piperidin-1-yl)ethanamine
• Synonyms: 1-Piperidineethylamine; 2-(1-Piperidinyl)ethylamine; (2-piperidin-1-ylethyl)amine; 2-Piperidinoethylamine 98%; N-(2-AMINOETHYL)PIPERIDINE; 2-Piperidinoethylamine; 1-(2-Aminoethyl)piperidine; 1-(2-氨乙基)哌啶; 1-哌啶乙胺; 1-(2-氨基乙基)哌啶

Database IDs

• CAS Number: 27578-60-5
• EC Number: 248-540-8
• MDL Number: MFCD00006516
• Beilstein Number: 103469
• PubChem SID: 24848506; 162039215
• PubChem CID: 33944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.588164
• LogD (pH = 7.4): -2.294534
• Log P: 0.24355179
• Molar Refractivity: 40.0799 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 184-186°C; 185-186°C; 186 °C(lit.)
• Flash Point: 136.4 °F; 57°C(134°F); 58 °C
• Density: 0.899 g/mL at 25 °C(lit.); 0.903
• Refractive Index: 1.4740; n20/D 1.473(lit.)

Safety Information

• Storage Warning: Air Sensitive; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2733
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2734 8/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C7H16N2

DETAILS

MP Biomedicals - 05205455

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 141666

Packaging
5, 10 g in glass bottle
Application
Reactant for synthesis of: Analogs of anticancer agents1 Inhibitor of Botulinum Neurotoxin Serotype A light Chain, P. falciparum Malaria, and Ebola Filovirus2 Cannabinoid CB1 receptor antagonists3 Small molecules that restore E-cadherin expression and reduve invasion in colorectal carcinoma cells4 Potent and selective 5-HT6 antagonists5 N-mustards as anticancer agents6