1-aminoguanidine hydrochloride

• ChemBase ID: 149475
• Molecular Formular: CH7ClN4
• Molecular Mass: 110.54608
• Monoisotopic Mass: 110.03592392
• SMILES: C(=N)(N)NN.Cl
• Canonical SMILES: NNC(=N)N.Cl
• InChI: InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H
• InChIKey: UBDZFAGVPPMTIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminoguanidine hydrochloride
• IUPAC Traditional name: aminoguanidine hydrochloride
• Synonyms: Guanylhydrazine hydrochloride; Aminoguanidine hydrochloride; 甲脒肼 盐酸盐; 氨基胍 盐酸盐

Database IDs

• CAS Number: 1937-19-5
• EC Number: 217-707-7
• MDL Number: MFCD00039074
• Beilstein Number: 3909606
• PubChem SID: 162243640; 24864672
• PubChem CID: 2734687

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -3.9215941
• LogD (pH = 7.4): -3.8816965
• Log P: -1.4684814
• Molar Refractivity: 40.8357 cm^3
• Polarizability: 7.0459237 Å^3
• Polar Surface Area: 87.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-166 °C(lit.)

Safety Information

• RTECS: ME8430000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%
• Linear Formula: NH2NHC(=NH)NH2 · HCl

DETAILS

Sigma Aldrich - 396494

Frequently Asked Questions
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Biochem/physiol Actions
Inhibits both constitutive and inducible nitric oxide synthetase.
Packaging
25, 100 g in glass bottle