pentan-3-amine

• ChemBase ID: 74473
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: NC(CC)CC
• Canonical SMILES: CCC(CC)N
• InChI: InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
• InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentan-3-amine
• IUPAC Traditional name: 3-pentanamine
• Synonyms: 3-Aminopentane; 3-Aminopentane; 1-Ethylpropylamine; 3-Amylamine; 1-Ethylpropylamine; 3-Aminopentane; 3-氨基戊烷; 3-戊胺; 3-戊基胺

Database IDs

• CAS Number: 616-24-0
• EC Number: 210-471-6
• MDL Number: MFCD00008096
• Beilstein Number: 635658
• PubChem SID: 162039392; 24851418
• PubChem CID: 12019

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8351722
• LogD (pH = 7.4): -1.5580716
• Log P: 1.1929688
• Molar Refractivity: 28.1342 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: 89-91 °C(lit.); 89-91°C; 89-91°C°C
• Flash Point: 2 °C; 2°C°C; 2°C(35°F); 35.6 °F
• Density: 0.748; 0.748 g/mL at 25 °C(lit.)
• Refractive Index: 1.4055; n20/D 1.4055(lit.)

Safety Information

• Storage Warning: Air Sensitive; Highly Flammable/Corrosive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2733; UN1106
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-34
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318-H302-H312-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 2733 3/PG 2

Product Information

• Purity: 97%; 98%
• Linear Formula: (C2H5)2CHNH2

DETAILS

MP Biomedicals - 05213469

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 190195

Packaging
25 g in glass bottle