pentan-2-amine

• ChemBase ID: 74468
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: NC(CCC)C
• Canonical SMILES: CCCC(N)C
• InChI: InChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
• InChIKey: IGEIPFLJVCPEKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentan-2-amine
• IUPAC Traditional name: 2-pentanamine
• Synonyms: Pentan-2-amine; 2-Aminopentane; 1-Methylbutylamine; 2-Amylamine; 2-Aminopentane; 1-甲基丁胺; 2-戊胺; 2-氨基戊烷

Database IDs

• CAS Number: 63493-28-7; 625-30-9
• EC Number: 210-886-2; 264-269-8
• MDL Number: MFCD00008098
• PubChem SID: 162039387; 24850060
• PubChem CID: 12246

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9126494
• LogD (pH = 7.4): -1.6164956
• Log P: 1.1150151
• Molar Refractivity: 28.2112 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90.5-91.5 °C(lit.); 90-92°C; 91°C
• Flash Point: 35 °C; 35°C; 95 °F
• Density: 0.736; 0.736 g/mL at 25 °C(lit.); 0.739 g/ml
• Refractive Index: 1.4020; n20/D 1.4020(lit.)

Safety Information

• Storage Warning: Corrosive/Flammable
• European Hazard Symbols: Corrosive (C)
• UN Number: 1106
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 1106 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH3CH(NH2)CH2CH2CH3

DETAILS

MP Biomedicals - 05204160

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 171417

Packaging
5 g in glass bottle