3-hydrazinylpropanenitrile

• ChemBase ID: 141950
• Molecular Formular: C3H7N3
• Molecular Mass: 85.10778
• Monoisotopic Mass: 85.06399724
• SMILES: C(CNN)C#N
• Canonical SMILES: NNCCC#N
• InChI: InChI=1S/C3H7N3/c4-2-1-3-6-5/h6H,1,3,5H2
• InChIKey: VIHRIIARIFUQLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylpropanenitrile
• IUPAC Traditional name: 3-hydrazinylpropanenitrile
• Synonyms: 2-Cyanoethylhydrazine; 3-Hydrazinopropionitrile; Cyanoethylhydrazine; 3-hydrazinylpropanenitrile; 2-氰基乙基肼; 3-肼基丙腈; 氰乙基肼

Database IDs

• CAS Number: 353-07-1
• MDL Number: MFCD00043620
• Beilstein Number: 773834
• PubChem SID: 24882758; 162236182
• PubChem CID: 136177

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1186502
• LogD (pH = 7.4): -1.038296
• Log P: -1.0371693
• Molar Refractivity: 34.659 cm^3
• Polarizability: 8.958478 Å^3
• Polar Surface Area: 61.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-79 °C/0.5 mmHg(lit.); 76-79°C/0.5mm
• Flash Point: 108 °C; 109°C(228°F); 226.4 °F
• Density: 1.045 g/mL at 25 °C; 1.053
• Refractive Index: 1.4770; n20/D 1.4776
• Hydrophobicity(logP): -1.317

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Toxic (T)
• UN Number: 2927; UN2927
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 25-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H314; H301-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2927 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%
• Linear Formula: NCCH2CH2NHNH2

DETAILS

Sigma Aldrich - 636193

Packaging
1 g in glass bottle