decane-1,10-diamine

• ChemBase ID: 105645
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: NCCCCCCCCCCN
• Canonical SMILES: NCCCCCCCCCCN
• InChI: InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
• InChIKey: YQLZOAVZWJBZSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decane-1,10-diamine
• IUPAC Traditional name: 1,10-diaminodecane
• Synonyms: 1,10-DIAMINODECANE; 1,10-Decanediamine; Decamethylenediamine; 1,10-Diaminodecane; Decane-1,10-diaMine; 1,10-癸二胺; 十亚甲基二胺; 1,10-二氨基癸烷

Database IDs

• CAS Number: 646-25-3
• EC Number: 211-471-9
• MDL Number: MFCD00008151
• Beilstein Number: 1738591
• PubChem SID: 24859749; 24277977; 162092389
• PubChem CID: 1317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2256846
• LogD (pH = 7.4): -3.3861315
• Log P: 1.8222917
• Molar Refractivity: 54.9846 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-61 °C(lit.); 59-63 °C
• Boiling Point: 140 °C/12 mmHg(lit.)

Safety Information

• RTECS: HD7175000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥98.0% (NT); 97%; 98%
• Grade: purum
• Linear Formula: NH2(CH2)10NH2

DETAILS

MP Biomedicals - 02193643

(1,10-Decanediamine)
Crystalline
NMDA receptor inverse agonist.

Sigma Aldrich - D14204

Packaging
5, 25 g in glass bottle