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

• ChemBase ID: 34846
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CCN)CCCC1
• Canonical SMILES: NCCN1CCCC1
• InChI: InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2
• InChIKey: WRXNJTBODVGDRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 1-pyrrolidineethanamine
• Synonyms: 2-Pyrrolidin-1-ylethanamine; 1-Pyrrolidineethylamine; 2-(1-Pyrrolidinyl)ethylamine; 1-(2-Aminoethyl)pyrrolidine; 2-Pyrrolidinoethylamine; 1-(2-Aminoethyl)pyrrolidine; N-(2-氨基乙基)吡咯烷; 1-(2-氨乙基)吡咯烷

Database IDs

• CAS Number: 7154-73-6
• EC Number: 230-509-5
• MDL Number: MFCD00003182
• Beilstein Number: 102978
• PubChem SID: 24890990; 160998153
• PubChem CID: 1344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.153675
• LogD (pH = 7.4): -2.8958197
• Log P: -0.20101687
• Molar Refractivity: 35.4789 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 161°C; 66-70 °C/23 mmHg(lit.)
• Flash Point: 116.6 °F; 47 °C; 47°C(116°F)
• Density: 0.901 g/mL at 25 °C(lit.); 0.904
• Refractive Index: 1.4687; n20/D 1.468(lit.)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 是
• 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%; 99%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

Sigma Aldrich - A55357

Packaging
1, 5 g in glass bottle