propylurea

• ChemBase ID: 86967
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: O=C(NCCC)N
• Canonical SMILES: CCCNC(=O)N
• InChI: InChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
• InChIKey: ZQZJKHIIQFPZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propylurea
• IUPAC Traditional name: propylurea
• Synonyms: N-propylurea; n-Propylurea; 正丙基脲

Database IDs

• CAS Number: 627-06-5
• EC Number: 210-981-9
• MDL Number: MFCD00014793
• PubChem SID: 162074083
• PubChem CID: 12303

CALCULATED PROPERTIES

• Acid pKa: 15.841962
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.26082748
• LogD (pH = 7.4): -0.26082745
• Log P: -0.26082745
• Molar Refractivity: 27.3119 cm^3
• Polarizability: 10.468231 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-104°C

Safety Information

• RTECS: YU151550; YU1615500
• TSCA Listed: 是

Product Information

• Purity: 97%; 98%

DETAILS

MP Biomedicals - 05217995

MP Biomedicals Rare Chemical collection