prop-2-yn-1-amine hydrochloride

• ChemBase ID: 111874
• Molecular Formular: C3H6ClN
• Molecular Mass: 91.53944
• Monoisotopic Mass: 91.01887688
• SMILES: Cl.NCC#C
• Canonical SMILES: NCC#C.Cl
• InChI: InChI=1S/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H
• InChIKey: IKXNIQJDNKPPCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-yn-1-amine hydrochloride
• IUPAC Traditional name: 2-propynylamine hydrochloride
• Synonyms: PROPARGYL AMINE HCl; 2-Propynylamine hydrochloride; 3-Amino-1-propyne hydrochloride; Propargylamine hydrochloride; prop-2-yn-1-amine hydrochloride; 2-Propynylamine, Hydrochloride; Propargylamine, Hydrochloride; 2-丙炔胺 盐酸盐; 3-氨基-1-丙炔 盐酸盐; 炔丙基胺 盐酸盐; 炔丙胺盐酸盐

Database IDs

• CAS Number: 15430-52-1
• EC Number: 239-440-5
• MDL Number: MFCD00012907
• Beilstein Number: 3669858
• PubChem SID: 162097126; 24898593
• PubChem CID: 11205720

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.2960982
• LogD (pH = 7.4): -1.9670719
• Log P: -0.39737582
• Molar Refractivity: 17.499 cm^3
• Polarizability: 6.692963 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Pale Beige to Light Brown Solid; Powder
• Melting Point: 179-182 °C(lit.); 179-182°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Hygroscopic; Moisture Sensitive Highly Toxic
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25-36/37/38; 25-36/37/38
• Safety Statements: 26-36/37/39-45; 4-9-20-26-27-36/37-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H315-H319-H335; H301-H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: HC≡CCH2NH2 · HCl

DETAILS

MP Biomedicals - 05221474

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P50919

Packaging
10 g in glass bottle

Toronto Research Chemicals - P762525

A useful intermediates in the preparation of drugs or pesticides.