3,7-dimethylocta-2,6-dien-1-amine

• ChemBase ID: 150188
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: CC(=CCC/C(=C/CN)/C)C
• Canonical SMILES: NC/C=C(/CCC=C(C)C)\C
• InChI: InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8,11H2,1-3H3
• InChIKey: AFMZGMJNKXOLEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-dimethylocta-2,6-dien-1-amine
• IUPAC Traditional name: 3,7-dimethylocta-2,6-dien-1-amine
• Synonyms: trans-3,7-Dimethyl-2,6-octadien-1-ylamine; trans-3,7-Dimethyl-2,6-octadienyl amine; Geranylamine; 反式-3,7-二甲基-2,6-辛二烯基胺; 反式-3,7-二甲基-2,6-辛二烯-1-基胺; 香叶胺

Database IDs

• CAS Number: 6246-48-6
• MDL Number: MFCD00192193
• PubChem SID: 24865816; 162244349
• PubChem CID: 5475462

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6054165
• LogD (pH = 7.4): 0.21235937
• Log P: 2.3955016
• Molar Refractivity: 52.8396 cm^3
• Polarizability: 20.272053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105 °C/19 mmHg(lit.)
• Flash Point: 190.4 °F; 88 °C
• Density: 0.829 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.476(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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: 90%
• Linear Formula: (CH3)2C=CHCH2CH2C(CH3)=CHCH2NH2

DETAILS

Sigma Aldrich - 412643

Packaging
1, 5 g in glass bottle