2-aminopropan-1-ol hydrochloride

• ChemBase ID: 109271
• Molecular Formular: C3H10ClNO
• Molecular Mass: 111.5706
• Monoisotopic Mass: 111.04509163
• SMILES: Cl.CC(N)CO
• Canonical SMILES: CC(CO)N.Cl
• InChI: InChI=1S/C3H9NO.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H
• InChIKey: RPDODBFXWRWFAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopropan-1-ol hydrochloride
• IUPAC Traditional name: 2-aminopropanol hydrochloride
• Synonyms: DL-ALANINOL HCl; 2-Amino-1-propanol; DL-Alaninol hydrochloride; DL-丙氨醇 盐酸盐

Database IDs

• CAS Number: 17016-92-1
• MDL Number: MFCD00039087
• PubChem SID: 24890612; 162094760
• PubChem CID: 110798

CALCULATED PROPERTIES

• Acid pKa: 15.136744
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.908886
• LogD (pH = 7.4): -3.2041879
• Log P: -0.89898586
• Molar Refractivity: 20.6299 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: off-white to tan crystalline

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%
• Empirical Formula (Hill Notation): C3H9NO · HCl

DETAILS

MP Biomedicals - 05210400

MP Biomedicals Rare Chemical collection