(2-aminoethyl)(lithio)amine

• ChemBase ID: 137819
• Molecular Formular: C2H7LiN2
• Molecular Mass: 66.03138
• Monoisotopic Mass: 66.07692778
• SMILES: [Li]NCCN
• Canonical SMILES: [Li]NCCN
• InChI: InChI=1S/C2H7N2.Li/c3-1-2-4;/h3H,1-2,4H2;/q-1;+1
• InChIKey: CXZAJSLSSDNDHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(lithio)amine
• IUPAC Traditional name: (2-aminoethyl)(lithio)amine
• Synonyms: Ethylenediamine lithium salt; N-Lithioethylenediamine; 乙二胺 锂盐; N-锂代乙二胺

Database IDs

• CAS Number: 17096-24-1
• EC Number: 241-167-1
• MDL Number: MFCD00192146
• PubChem SID: 162232080
• PubChem CID: 3014050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.3286796
• LogD (pH = 7.4): -2.8915648
• Log P: -0.8829
• Molar Refractivity: 27.5614 cm^3
• Polarizability: 8.637525 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2813
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14-20/21/22-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H260-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P223-P231 + P232-P261-P280-P370 + P378-P422
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2813 4.3/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Empirical Formula (Hill Notation): C2H9LiN2