(1-ethylpyrrolidin-2-yl)methanamine

• ChemBase ID: 34726
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(C(CN)CCC1)CC
• Canonical SMILES: NCC1CCCN1CC
• InChI: InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
• InChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpyrrolidin-2-yl)methanamine
• IUPAC Traditional name: (1-ethylpyrrolidin-2-yl)methanamine
• Synonyms: (1-ethylpyrrolidin-2-yl)methanamine; 2-(Aminomethyl)-1-ethylpyrrolidine; (1-Ethylpyrrolidin-2-yl)methylamine; (1-Ethylpyrrolidin-2-yl)methylamine; 2-(Aminomethyl)-1-ethylpyrrolidine; 2-(氨甲基)-1-乙基吡咯烷

Database IDs

• CAS Number: 26116-12-1
• EC Number: 247-466-3
• MDL Number: MFCD00003178
• PubChem SID: 160998033; 24884117
• PubChem CID: 117295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.905204
• LogD (pH = 7.4): -2.7165408
• Log P: 0.21555814
• Molar Refractivity: 39.8977 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: 58-60 °C/16 mmHg(lit.); 58-60°C/16mm
• Flash Point: 132.8 °F; 56 °C; 56°C
• Density: 0.884; 0.884 g/mL at 25 °C(lit.)
• Refractive Index: 1.466; n20/D 1.466(lit.)
• Hydrophobicity(logP): 0.843

Safety Information

• Storage Warning: Corrosive/Flammable; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C7H16N2

DETAILS

Sigma Aldrich - 655600

Packaging
5, 25 g in glass bottle