methyl(propyl)amine

• ChemBase ID: 109527
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: CCCNC
• Canonical SMILES: CCCNC
• InChI: InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3
• InChIKey: GVWISOJSERXQBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(propyl)amine
• IUPAC Traditional name: N-methylpropylamine
• Synonyms: METHYL-n-PROPYLAMINE; N-(n-Propyl)methylamine; N-Methyl-1-propylamine; Methylpropylamine; N-Methyl-1-propanamine; N-Methyl-1-propylamine; N-Methyl-n-propylamine; N-Methylpropan-1-ylamine; N-Methylpropanamine; N-Methylpropylamine; NSC 165652; Propylmethylamine; n-Propylmethylamine; N-Methyl-1-propanamine; N-Methylpropylamine; methyl(propyl)amine; N-甲基-1-丙基胺; N-甲基丙胺

Database IDs

• CAS Number: 627-35-0
• MDL Number: MFCD00009361
• PubChem SID: 162096282; 24858651
• PubChem CID: 12315

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5494378
• LogD (pH = 7.4): -2.2274475
• Log P: 0.68645185
• Molar Refractivity: 23.966 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -104°C
• Boiling Point: 61-63 °C(lit.); 62-64°C; 63°C
• Flash Point: -1.1°C(30°F); -25.6 °F; -32 °C
• Density: 0.713; 0.713 g/mL at 25 °C(lit.); 0.72 g/ml
• Refractive Index: n20/D 1.394(lit.)
• Hydrophobicity(logP): 0.54

Safety Information

• RTECS: EO3325000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34; R:11-20/22-35-50
• Safety Statements: 16-26-27-36/37/39-45; 9-16-20-23-26-36/37/39-45-60; S:9-16-26-28-45-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• 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)
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: 95%; 96%; 97%
• Linear Formula: CH3CH2CH2NHCH3

DETAILS

MP Biomedicals - 05211439

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 308137

Packaging
1, 5 g in ampule

Toronto Research Chemicals - M326305

A naturally occurring nitrostable secondary amine found in tabacco smoke condensate.

REFERENCES

• Singer, G.M. et al.: J. Agric. Food Chem. 24, 553(1976)
• Bush, L. P. et al.: Can. J. Plant Sci. 50, 289(1970).