methyl[8-(methylamino)octyl]amine

• ChemBase ID: 149785
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CNCCCCCCCCNC
• Canonical SMILES: CNCCCCCCCCNC
• InChI: InChI=1S/C10H24N2/c1-11-9-7-5-3-4-6-8-10-12-2/h11-12H,3-10H2,1-2H3
• InChIKey: JWMBTMQPVIYUAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[8-(methylamino)octyl]amine
• IUPAC Traditional name: methyl[8-(methylamino)octyl]amine
• Synonyms: N,N′-Dimethyl-1,8-octanediamine; N,N′-二甲基-1,8-辛二胺

Database IDs

• CAS Number: 33563-54-1
• MDL Number: MFCD00037084
• PubChem SID: 24872858; 162243947
• PubChem CID: 541697

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.6721573
• LogD (pH = 7.4): -3.9814057
• Log P: 1.7983152
• Molar Refractivity: 55.3318 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 31-36 °C(lit.)
• Boiling Point: 249 °C(lit.)
• Density: 0.769 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3259 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: [-(CH2)4NHCH3]2

DETAILS

Sigma Aldrich - 493775

Packaging
1 g in glass bottle