1-Butyl-1H-Tetrazol-5-Amine
Basic information
- CAS
6280-31-5- Standard SMILES
CCCCn1nnnc1N- InChIKey
DAFSTKDZKAGKGV-UHFFFAOYSA-N- Molecular formula
- C5H11N5
- Average molar mass
- 141.18 g/mol
- Monoisotopic mass
- 141.10144537
Names & identifiers
- Preferred name
- 1-Butyl-1H-Tetrazol-5-Amine
- IUPAC
- 1-butyltetrazol-5-amine
- English name
- 1-BUTYL-1H-TETRAZOL-5-AMINE
- Molecular formula
- C5H11N5
- Molecular weight
- 141.17
Names & synonyms
1-butyl-1H-tetrazol-5-amineDTXSID00279037RefChem:430984DTXCID50230193107-190-56280-31-51-butyltetrazol-5-amineMFCD056258111-butyl-1H-1,2,3,4-tetrazol-5-amine1-Butyl-1H-tetrazole-5-amine1H-Tetrazol-5-amine,1-butyl-NSC11111
Show more names
AKOS LT-3X290CHEMBRDG-BB 40164261-BUTYL-1H-TETRAZOL-5-YLAMINE1-n-butyl-1H-tetrazol-5-amine1-Butyl-1H-tetrazol-5-amine AldrichCPR1-butyl-1H-tetrazol-5-amine(SALTDATA: FREE)
SCHEMBL184964661-butyl-1 h -tetrazol-5-amineAR-1E9414BBL000023NSC-11111STK513766AKOS000284975DA-18860
Database identifiers
- CAS
6280-31-5- PubChem CID
- 223446
- DTXSID
DTXSID00279037- EC Number
- 107-190-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 96
Physicochemical properties
- Melting point
- 149 · 149-149.5 °C
- Boiling point
- 293.1 · 293.1±23.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 2.04 · 2.04±0.10(Predicted)
- form
- solid
- InChI
- 1S/C5H11N5/c1-2-3-4-10-5(6)7-8-9-10/h2-4H2,1H3,(H2,6,7,9)
- InChIKey
- DAFSTKDZKAGKGV-UHFFFAOYSA-N
- SMILES
- NC1=NN=NN1CCCC
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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