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

• ChemBase ID: 70820
• Molecular Formular: C3H12Cl2N2
• Molecular Mass: 147.04678
• Monoisotopic Mass: 146.03775375
• SMILES: C([C@H](C)N)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-;;/m0../s1
• InChIKey: AEIAMRMQKCPGJR-QTNFYWBSSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19777-66-3
• MDL Number: MFCD00050706
• Beilstein Number: 5740936
• PubChem SID: 162036530; 24865810
• PubChem CID: 12217445

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: 227-229 °C(lit.); 227-229°C
• Optical Rotation: [α]22/D -4°, c = 20 in H2O; -4.0 (c=20 in water)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 99%
• Linear Formula: CH3CH(NH2)CH2NH2·2HCl

DETAILS

Sigma Aldrich - 412562

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
This diamine has been used for the synthesis of chiral imidazolines.1,2