(3-amino-2,2-dimethylpropyl)dimethylamine

• ChemBase ID: 144874
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: CC(C)(CN)CN(C)C
• Canonical SMILES: NCC(CN(C)C)(C)C
• InChI: InChI=1S/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3
• InChIKey: ULDIVZQLPBUHAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-2,2-dimethylpropyl)dimethylamine
• IUPAC Traditional name: (3-amino-2,2-dimethylpropyl)dimethylamine
• Synonyms: N,N-Dimethylneopentanediamine; N,N,2,2-Tetramethyl-1,3-propanediamine; N,N-二甲基新戊二胺; N,N,2,2-四甲基-1,3-丙二胺

Database IDs

• CAS Number: 53369-71-4
• EC Number: 258-501-7
• MDL Number: MFCD00044018
• PubChem SID: 162239086; 24853629
• PubChem CID: 104477

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.459632
• LogD (pH = 7.4): -3.1429334
• Log P: 0.42482054
• Molar Refractivity: 41.5626 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-158 °C(lit.)
• Flash Point: 36 °C; 96.8 °F
• Density: 0.818 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4355(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2734 8/PG 2

Pharmacology Properties

• Gene Information: rat ... Grin2a(24409)

Product Information

• Purity: 97%
• Linear Formula: (CH3)2NCH2C(CH3)2CH2NH2

DETAILS

Sigma Aldrich - 227412

Packaging
25 g in glass bottle