3-(morpholin-4-yl)propan-1-amine

• ChemBase ID: 24411
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CCCN)CCOCC1
• Canonical SMILES: NCCCN1CCOCC1
• InChI: InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2
• InChIKey: UIKUBYKUYUSRSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)propan-1-amine
• IUPAC Traditional name: 4-morpholinepropanamine
• Synonyms: 3-morpholinopropan-1-amine; 3-Morpholinopropylamine; 3-(4-Morpholinyl)-1-propanamine; 4-(3-Aminopropyl)morpholine; N-3-AMINOPROPYLMORPHOLINE; 4-Morpholinepropylamine; 3-(4-Morpholinyl)propylamine; 4-(3-氨丙基)吗啉; 3-吗啉丙胺; 4-3-氨丙基吗啉

Database IDs

• CAS Number: 123-00-2
• EC Number: 204-590-2
• MDL Number: MFCD00006184
• Beilstein Number: 105104
• PubChem SID: 24891218; 24846307; 24891203; 160987718
• PubChem CID: 61055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0985117
• LogD (pH = 7.4): -3.4427817
• Log P: -0.76535505
• Molar Refractivity: 41.8778 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -15 °C(lit.); -15°C
• Boiling Point: 223-225°C; 224 °C(lit.)
• Flash Point: 210.2 °F; 98°C(210°F); 99 °C
• Density: 0.987; 0.987 g/mL at 25 °C(lit.)
• Refractive Index: 1.4761; n20/D 1.4761(lit.); n20/D 1.477

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• RTECS: QD7700000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2735; UN2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3; II
• Risk Statements: 21/22-34; 21-34
• Safety Statements: 20-23-26-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H311-H314-H318-H303; H312-H314
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P361-P405-P501A; 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 2735 8/PG 3

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Ignition Residue: <0.1%
• Impurities: <0.0005% Phosphorus (P)
• Cation Traces: Al: <0.0005%; Ca: <0.0005%; Cu: <0.0005%; Fe: <0.0005%; K: <0.005%; Mg: <0.0005%; Na: <0.005%; NH4+: <0.05%; Pb: <0.001%; Zn: <0.0005%
• Antion Traces: chloride (Cl-): <0.05%; sulfate (SO42-): <0.05%
• Empirical Formula (Hill Notation): C7H16N2O

DETAILS

MP Biomedicals - 05206283

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A9028

包装
100, 500 mL in glass bottle