(3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride

• ChemBase ID: 69582
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: N([C@H]1CNCC1)(C)C.Cl.Cl
• Canonical SMILES: CN([C@H]1CNCC1)C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m1../s1
• InChIKey: LCPKWRSLMCUOOZ-QYCVXMPOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: (3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
• Synonyms: (R)-(+)-3-(Dimethylamino)pyrrolidine dihydrochloride; (R)-Dimethylpyrrolidin-3-yl-amine dihydrochloride

Database IDs

• CAS Number: 864448-61-3
• MDL Number: MFCD08704347
• PubChem SID: 162035308
• PubChem CID: 53487164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6740437
• LogD (pH = 7.4): -3.3091161
• Log P: -0.22603208
• Molar Refractivity: 35.2791 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176-181°C
• Optical Rotation: +3.1 (c=1 in water)

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%