2-methylpentane-1,5-diamine

• ChemBase ID: 146501
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: CC(CCCN)CN
• Canonical SMILES: NCCCC(CN)C
• InChI: InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3
• InChIKey: JZUHIOJYCPIVLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpentane-1,5-diamine
• IUPAC Traditional name: 1,5-pentanediamine, 2-methyl-
• Synonyms: 2-Methyl-1,5-pentanediamine; 2-Methylpentamethylene diamine; 1,5-Diamino-2-methylpentane; 2-甲基-1,5-二氨基戊烷; 2-甲基-1,5-戊二胺; 1,5-二氨基-2-甲基戊烷

Database IDs

• CAS Number: 15520-10-2
• EC Number: 239-556-6
• MDL Number: MFCD00013460
• Beilstein Number: 1732701
• PubChem SID: 24859804; 162240696
• PubChem CID: 85862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.0840077
• LogD (pH = 7.4): -5.2578974
• Log P: -0.035578772
• Molar Refractivity: 36.4512 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 193 °C(lit.)
• Flash Point: 179.6 °F; 82 °C
• Auto Ignition Point: 568 °F
• Density: 0.86 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.459; n20/D 1.459(lit.)
• Vapor Pressure: 130 mmHg ( 135 °C)

Safety Information

• RTECS: SA0248500
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-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 1

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: NH2CH2CH2CH2CH(CH3)CH2NH2

DETAILS

Sigma Aldrich - 329665

Packaging
1, 2.5 L in glass bottle
25 mL in glass bottle