propan-2-ylhydrazine hydrochloride

• ChemBase ID: 10449
• Molecular Formular: C3H11ClN2
• Molecular Mass: 110.58584
• Monoisotopic Mass: 110.06107604
• SMILES: CC(NN)C.Cl
• Canonical SMILES: NNC(C)C.Cl
• InChI: InChI=1S/C3H10N2.ClH/c1-3(2)5-4;/h3,5H,4H2,1-2H3;1H
• InChIKey: ILULYDJFTJKQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-ylhydrazine hydrochloride; (propan-2-yl)hydrazine hydrochloride
• IUPAC Traditional name: isopropylhydrazine hydrochloride
• Synonyms: Prop-2-ylhydrazine hydrochloride; propan-2-ylhydrazine hydrochloride; Isopropylhydrazine hydrochloride; (1-Methylethyl)hydrazine Monohydrochloride

Database IDs

• CAS Number: 16726-41-3
• MDL Number: MFCD01746887
• PubChem SID: 160973756
• PubChem CID: 85573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6075512
• LogD (pH = 7.4): -0.049974866
• Log P: -0.0367313
• Molar Refractivity: 34.0631 cm^3
• Polarizability: 9.113097 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-118°C; 69 - 71°C
• Hydrophobicity(logP): -0.226

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; TOXIC
• TSCA Listed: false

Product Information

• Purity: 95%; 98%

DETAILS

Toronto Research Chemicals - I824550

Potent monoamine oxidase inhibitor

REFERENCES

• Rubana, I., et al.: Latv. PSR Zinat. Akad. Vestis., 3, 98 (1975)