(2R)-propane-1,2-diamine dihydrochloride

• ChemBase ID: 150770
• Molecular Formular: C3H12Cl2N2
• Molecular Mass: 147.04678
• Monoisotopic Mass: 146.03775375
• SMILES: C[C@H](CN)N.Cl.Cl
• Canonical SMILES: NC[C@H](N)C.Cl.Cl
• InChI: InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H/t3-;;/m1../s1
• InChIKey: AEIAMRMQKCPGJR-HWYNEVGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-propane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (2R)-propane-1,2-diamine dihydrochloride
• Synonyms: (R)-(+)-Propylenediamine dihydrochloride; 1,2-Propanediamine dihydrochloride; (R)-(+)-1,2-Diaminopropane dihydrochloride; (R)-(+)-1,2-Diaminopropane dihydrochloride; (R)-(+)-Propylenediamine dihydrochloride; (R)-(+)-丙二胺 二盐酸盐; 1,2-二氨基丙烷 二盐酸盐; (R)-(+)-二氨基丙烷 二盐酸盐; (R)-(+)-1,2-二氨基丙烷 二盐酸盐; (R)-(+)-丙二胺 二盐酸盐

Database IDs

• CAS Number: 19777-67-4
• MDL Number: MFCD00239481
• Beilstein Number: 5740937
• PubChem SID: 24865809; 162244930; 24887956
• PubChem CID: 12217444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.630061
• LogD (pH = 7.4): -3.5205479
• Log P: -1.0058676
• Molar Refractivity: 22.2874 cm^3
• Polarizability: 9.319206 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239-244 °C; 241-244 °C(lit.)
• Optical Rotation: [α]20/D +3.8±0.3°, c = 20% in H2O; [α]20/D +4.0°, c = 20 in H2O

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (TLC/AT); 99%
• Grade: purum
• Linear Formula: CH3CH(NH2)CH2NH2·2HCl
• Empirical Formula (Hill Notation): C3H10N2 · 2HCl

DETAILS

Sigma Aldrich - 412554

Packaging
1 g in glass bottle

Sigma Aldrich - 82253

Other Notes
Building block for the synthesis of chiral ligands1,2