Basic information
- CAS
175137-46-9- Standard SMILES
Nc1cc(C2CC2)[nH]n1- InChIKey
MXVAGCQKBDMKPG-UHFFFAOYSA-N- Molecular formula
- C6H9N3
- Average molar mass
- 123.16 g/mol
- Monoisotopic mass
- 123.0796473
Names & identifiers
- Preferred name
- 3-cyclopropyl-1H-pyrazol-5-amine
- IUPAC
- 5-cyclopropyl-1H-pyrazol-3-amine
- English name
- 5-Cyclopropyl-2H-pyrazol-3-ylamine
- Molecular formula
- C6H9N3
- Molecular weight
- 123.16
Names & synonyms
3-cyclopropyl-1H-pyrazol-5-amineDTXSID90374126RefChem:1067678DTXCID30325157175137-46-95-cyclopropyl-1H-pyrazol-3-amine3-AMINO-5-CYCLOPROPYL-1H-PYRAZOLE1H-Pyrazol-3-amine, 5-cyclopropyl-3-amino-5-cyclopropylpyrazole5-cyclopropyl-2h-pyrazol-3-ylamineMFCD00067985714230-91-8
Show more names
SW-31SWF-31CAS:175137-46-9BUTTPARK 47\04-27TIMTEC-BB SBB0054823-Cyclopropylpyrazol-5-amine3-AMino-5-cyclopropyl-1H-...5-Amino-3-cyclopropylpyrazole
5-amino-3-cyclopropyl-1h-pyrazole1H-pyrazol-5-amine, 3-cyclopropyl-, hydrochloride3-cyclopropylpyrazole-5-ylamine5-CYCLOPROPYL-1H-PYRAZOLE-3-AMINE3-amino-5-cyclopropyl-2h-pyrazole3-cyclopropyl-1H-pyrazole-5-amineMFCD00082760Oprea1_724831
Database identifiers
- CAS
175137-46-9- PubChem CID
- 2758014
- DTXSID
DTXSID90374126- EC Number
- 672-789-5
- Nikkaji
- J1.717.395B、J2.294.099F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 367.5 · 367.5±30.0 °C(Predicted)
- Density
- 1.159 g/mL · 1.159 g/mL at 25 °C
- refractive index
- 20 · n20/D1.566
- Flash point
- 110 ℃ · >110℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- liquid
- pka
- 15.84 · 15.84±0.10(Predicted)
- Appearance
- Yellow to brown Oil
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C6H9N3/c7-6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
- InChIKey
- MXVAGCQKBDMKPG-UHFFFAOYSA-N
- SMILES
- N1C(C2CC2)=CC(N)=N1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN1760
- hs_code
- 29331990
- risk_code
- 20/21/22-36/37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Related reactions
123 records
Compound notes
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