benzenecarboximidamide hydrochloride

• ChemBase ID: 87175
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: NC(=N)c1ccccc1.Cl
• Canonical SMILES: NC(=N)c1ccccc1.Cl
• InChI: InChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
• InChIKey: LZCZIHQBSCVGRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzenecarboximidamide hydrochloride
• IUPAC Traditional name: benzamidine hydrochloride
• Synonyms: Benzamidine hydrochloride anhydrous 98%; Additive Screening Solution 37/Fluka kit no 78374; Benzamidine hydrochloride solution; Benzamidine hydrochloride 1 M solution; BENZAMIDINE HCl; benzimidamide hydrochloride; Benzamidine hydrochloride; Benzamidine hydrochloride hydrate; benzenecarboximidamide hydrochloride; 苯甲脒 盐酸盐; 苯甲脒盐酸水合物

Database IDs

• CAS Number: 206752-36-5; 1670-14-0
• EC Number: 216-795-4
• MDL Number: MFCD00066285; MFCD00013025
• Beilstein Number: 3594959
• PubChem SID: 24882315; 162074291; 24867207
• PubChem CID: 80289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5216389
• LogD (pH = 7.4): -1.513437
• Log P: 0.8937143
• Molar Refractivity: 47.7305 cm^3
• Polarizability: 14.029147 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 173°C; 169-173 °C(lit.); 82-85°C
• Hydrophobicity(logP): 0.645

Safety Information

• Storage Warning: Hygroscopic
• RTECS: CV6260000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 98%; 98%, water ca 10-14%; 99%
• Salt Data: HCl
• Linear Formula: C6H5C(=NH)NH2 · HCl

DETAILS

MP Biomedicals - 05211069

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 434760

Frequently Asked Questions
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Packaging
5, 25 g in glass bottle