cyclobutanamine hydrochloride

• ChemBase ID: 146538
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: C1CC(C1)N.Cl
• Canonical SMILES: NC1CCC1.Cl
• InChI: InChI=1S/C4H9N.ClH/c5-4-2-1-3-4;/h4H,1-3,5H2;1H
• InChIKey: NFAZOGXQOWEWBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutanamine hydrochloride
• IUPAC Traditional name: cyclobutylamine hydrochloride
• Synonyms: Aminocyclobutane hydrochloride; cyclobutanamine hydrochloride; Cyclobutylamine hydrochloride; 环丁基胺盐酸盐; 环丁胺 盐酸盐

Database IDs

• CAS Number: 6291-01-6
• EC Number: 228-540-4
• MDL Number: MFCD00034953
• PubChem SID: 24849804; 162240732
• PubChem CID: 12618374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.740153
• LogD (pH = 7.4): -2.345557
• Log P: 0.28467435
• Molar Refractivity: 21.731 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-183 °C(lit.); 180-183°C; 181 - 183°C
• Flash Point: 24.8 °F; -4 °C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34; 36/37/38
• Safety Statements: 16-26-36/37/39-45; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H315-H319-H335
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: 95%; 97%
• Linear Formula: C4H7NH2 · HCl

DETAILS

Sigma Aldrich - 159271

Packaging
1, 5 g in glass bottle