6-methylheptan-2-amine

• ChemBase ID: 107264
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CC(C)CCCC(C)N
• Canonical SMILES: CC(CCCC(N)C)C
• InChI: InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
• InChIKey: QNIVIMYXGGFTAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylheptan-2-amine
• IUPAC Traditional name: amidrine
• Synonyms: 1,5-Dimethylhexylamine; 6-Methyl-2-heptylamine; 2-AMINO-6-METHYLHEPTANE; 2-Amino-6-methylheptane; (+/-)-1,5-Dimethylhexylamine; (+/-)-6-Methyl-2-heptylamine; 1, 3-氨甲基庚烷; 1,5-二甲基己胺; 2-氨基-6-甲基庚烷

Database IDs

• CAS Number: 543-82-8
• EC Number: 208-851-1
• MDL Number: MFCD00008092
• Beilstein Number: 1209250
• Merck Index: 146757
• PubChem SID: 24893495; 162094522
• PubChem CID: 10982

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7364891
• LogD (pH = 7.4): -0.4401854
• Log P: 2.2911716
• Molar Refractivity: 41.9618 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 154-156 °C(lit.); 154-156°C
• Flash Point: 118.4 °F; 48 °C; 48°C(118°F)
• Density: 0.767; 0.767 g/mL at 25 °C(lit.)
• Refractive Index: 1.4215; n20/D 1.422(lit.)

Safety Information

• RTECS: MQ4840000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 1993; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; II
• Risk Statements: 10-22-34; 10-22-36/37/38; R:22
• Safety Statements: 26-36/37/39; 26-36/37/39-45; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H335; H301-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 99%
• Linear Formula: (CH3)2CH(CH2)3CH(CH3)NH2

DETAILS

MP Biomedicals - 05203109

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D161292

Packaging
25, 100 g in glass bottle