(4-aminopentyl)diethylamine

• ChemBase ID: 109138
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: CCN(CC)CCCC(C)N
• Canonical SMILES: CCN(CCCC(N)C)CC
• InChI: InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3
• InChIKey: CAPCBAYULRXQAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminopentyl)diethylamine
• IUPAC Traditional name: (4-aminopentyl)diethylamine
• Synonyms: 2-AMINO-5-DIETHYLAMINOPENTANE; N1,N1-Diethyl-1,4-pentanediamine; 2-Amino-5-diethylaminopentane; N1,N1-Diethylpentane-1,4-diamine; N1,N1-二乙基-1,4-戊二胺; 2-氨基-5-二乙氨基戊烷

Database IDs

• CAS Number: 140-80-7
• EC Number: 205-435-1
• MDL Number: MFCD00008091
• PubChem SID: 24890746; 162094786
• PubChem CID: 78953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.407791
• LogD (pH = 7.4): -4.4468284
• Log P: 1.100699
• Molar Refractivity: 51.3639 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 154.4 °F; 68 °C
• Density: 0.817 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4429(lit.)

Safety Information

• RTECS: XE1900000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2946
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 34; R:25
• Safety Statements: 26-36/37/39-45; S:28-36/37/39-45-53
• 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 2946 6.1/PG 3

Product Information

• Purity: 95+%; 97%
• Linear Formula: (C2H5)2N(CH2)3CH(NH2)CH3

DETAILS

MP Biomedicals - 05209964

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A48806

Packaging
25 g in glass bottle