cyclopropanecarboximidamide hydrochloride

• ChemBase ID: 54041
• Molecular Formular: C4H9ClN2
• Molecular Mass: 120.58066
• Monoisotopic Mass: 120.04542598
• SMILES: C1C(C1)C(=N)N.Cl
• Canonical SMILES: NC(=N)C1CC1.Cl
• InChI: InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H
• InChIKey: JRYOZJIRAVZGMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanecarboximidamide hydrochloride
• IUPAC Traditional name: cyclopropanecarboximidamide hydrochloride
• Synonyms: Cyclopropanecarboxamidine hydrochloride; Cyclopropanecarboximidamide hydrochloride; Cyclopropanecarbamidine hydrochloride; Cyclopropyl-1-carbamidine hydrochloride; Cyclopropaneamidine hydrochloride; Cyclopropylcarboxamidine hydrochloride; cyclopropanecarboximidamide hydrochloride; 环丙基甲脒盐酸盐

Database IDs

• CAS Number: 57297-29-7
• EC Number: 000-000-0
• MDL Number: MFCD00053010
• Beilstein Number: 4507255
• PubChem SID: 162058804
• PubChem CID: 2781916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5961168
• LogD (pH = 7.4): -2.595659
• Log P: -0.18066393
• Molar Refractivity: 34.4592 cm^3
• Polarizability: 9.232384 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-123°C; 122-123°C; 122-127 °C; 124 - 126°C
• Hydrophobicity(logP): -0.87

Safety Information

• Storage Warning: Hygroscopic; IRRITANT, HYGROSCOPIC; Irritant/Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• 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-P501A

Product Information

• Purity: 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C4H8N2 · HCl

DETAILS

Sigma Aldrich - 735647

Packaging
5 g in glass bottle