N,N-dimethyl-1H-pyrrol-1-amine

• ChemBase ID: 145307
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: CN(C)n1cccc1
• Canonical SMILES: CN(n1cccc1)C
• InChI: InChI=1S/C6H10N2/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3
• InChIKey: ZOORJGVSPXCZCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1H-pyrrol-1-amine
• IUPAC Traditional name: N,N-dimethylpyrrol-1-amine
• Synonyms: 1-(Dimethylamino)pyrrole; 1-(二甲氨基)吡咯

Database IDs

• CAS Number: 78307-76-3
• MDL Number: MFCD00010276
• PubChem SID: 24854893; 162239514
• PubChem CID: 573527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.25323388
• LogD (pH = 7.4): 0.25330022
• Log P: 0.25330105
• Molar Refractivity: 35.3209 cm^3
• Polarizability: 12.8464365 Å^3
• Polar Surface Area: 8.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 138-140 °C(lit.)
• Flash Point: 37 °C; 98.6 °F
• Density: 0.912 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.48(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, 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: 99%
• Empirical Formula (Hill Notation): C6H10N2

DETAILS

Sigma Aldrich - 247790

Packaging
5, 25 g in glass bottle