2,6-dimethylpiperidin-1-amine

• ChemBase ID: 150559
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: CC1CCCC(N1N)C
• Canonical SMILES: NN1C(C)CCCC1C
• InChI: InChI=1S/C7H16N2/c1-6-4-3-5-7(2)9(6)8/h6-7H,3-5,8H2,1-2H3
• InChIKey: UAHWWAIVYPJROV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpiperidin-1-amine
• IUPAC Traditional name: 2,6-dimethylpiperidin-1-amine
• Synonyms: 2,6-Dimethylpiperidin-1-ylamine; 1-Amino-2,6-dimethylpiperidine; 1-氨基-2,6-二甲基哌啶

Database IDs

• CAS Number: 39135-39-2
• EC Number: 254-310-8
• MDL Number: MFCD00006490
• PubChem SID: 162244720; 24848108
• PubChem CID: 123482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.013197976
• LogD (pH = 7.4): 0.78507245
• Log P: 0.81549597
• Molar Refractivity: 40.1571 cm^3
• Polarizability: 15.758498 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-80 °C/30 mmHg(lit.)
• Flash Point: 107.6 °F; 42 °C
• Density: 0.865 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.465(lit.)

Safety Information

• RTECS: TM4175000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-27-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-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: 90%
• Grade: technical grade
• Empirical Formula (Hill Notation): C7H16N2

DETAILS

Sigma Aldrich - 133450

Packaging
1, 5 g in glass bottle
Application
Reactant for synthesis of:
• Hydrazones1
• Superelectrophilic intermediates during 1,5-cyclization reactions2
• Amides3
• Anticonvulsant agents4
• HIV entry inhibitors for the CXCR4 receptor5Reactant for N-arylation reactions6