cyclopropylmethanamine hydrochloride

• ChemBase ID: 78054
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: NCC1CC1.Cl
• Canonical SMILES: NCC1CC1.Cl
• InChI: InChI=1S/C4H9N.ClH/c5-3-4-1-2-4;/h4H,1-3,5H2;1H
• InChIKey: HXSNGAHNYZBZTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropylmethanamine hydrochloride
• IUPAC Traditional name: cyclopropylmethanamine hydrochloride
• Synonyms: Cyclopropanemethylamine hydrochloride; (Aminomethyl)cyclopropane hydrochloride; Cyclopropanemethylamine hydrochloride; 氨甲基环丙烷 盐酸盐; 环丙基甲胺 盐酸盐

Database IDs

• CAS Number: 7252-53-1
• EC Number: 230-668-0
• MDL Number: MFCD00012544
• Beilstein Number: 3906936
• PubChem SID: 24891082; 162042888
• PubChem CID: 81671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.869171
• LogD (pH = 7.4): -2.4582562
• Log P: 0.1551184
• Molar Refractivity: 21.8608 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 °C(lit.)

Safety Information

• Storage Warning: Irritant/Hygroscopic
• 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: 99%
• Linear Formula: C3H5CH2NH2·HCl

DETAILS

Sigma Aldrich - A63805

Packaging
1, 10 g in glass bottle