methyl[3-(methylamino)propyl]amine

• ChemBase ID: 24492
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: N(CCCNC)C
• Canonical SMILES: CNCCCNC
• InChI: InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3
• InChIKey: UQUPIHHYKUEXQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(methylamino)propyl]amine
• IUPAC Traditional name: methyl[3-(methylamino)propyl]amine
• Synonyms: 1,3-Bis(methylamino)propane; N,N′-Dimethyltrimethylenediamine; N,N′-Dimethyl-1,3-propanediamine; N,N'-Dimethyl-1,3-propanediamine; methyl[3-(methylamino)propyl]amine; N,N'-Dimethyl-1,3-propanediamine; N1,N3-Dimethyl-1,3-propanediamine; N1,N3-Dimethylpropane-1,3-diamine; 1,3-二(甲氨基)丙烷; N,N′-二甲基三亚甲基二胺; N,N′-二甲基-1,3-丙二胺; N,N'-二甲基-1,3-丙二胺

Database IDs

• CAS Number: 111-33-1
• EC Number: 203-859-1
• MDL Number: MFCD00008292
• Beilstein Number: 773668
• PubChem SID: 160987799; 24858649
• PubChem CID: 66978

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.5555143
• LogD (pH = 7.4): -4.651517
• Log P: -0.49732214
• Molar Refractivity: 32.2832 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 143-146°C; 145 °C(lit.)
• Flash Point: 20 °C; 32°C(90°F); 68 °F
• Density: 0.817; 0.817 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438; n20/D 1.438(lit.)
• Hydrophobicity(logP): -0.341

Safety Information

• Storage Warning: IRRITANT
• 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
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 是
• 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), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Pharmacology Properties

• Gene Information: rat ... Grin2a(24409)

Product Information

• Purity: ≥97.0% (GC); 95%; 97%
• Grade: purum
• Linear Formula: CH3NHCH2CH2CH2NHCH3

DETAILS

Sigma Aldrich - 308110

Packaging
5 g in glass bottle