| CAS Number | 950691-49-3 |
| Catalog Number | AG00IIPT(AGN-PC-0WAAQF) |
| Chemical Name | 5-(3-Azetidinyl)-2H-tetrazole hydrochloride |
| IUPAC Name | 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride |
| InChI | InChI=1S/C4H7N5.ClH/c1-3(2-5-1)4-6-8-9-7-4;/h3,5H,1-2H2,(H,6,7,8,9);1H |
| InChI Key | SAFRKXFADKMSGB-UHFFFAOYSA-N |
| MDL Number | MFCD21647389 |
| Molecular Formula | C4H8ClN5 |
| Molecular Weight | 161.5928 |
| SMILES | [H]Cl.C1(C2CNC2)=NNN=N1 |
| Synonyms | 950691-49-3,
5-(3-AZETIDINYL)-2H-TETRAZOLE HYDROCHLORIDE,
5-(azetidin-3-yl)-2H-1,2,3,4-tetrazole hydrochloride,
5-(AZETIDIN-3-YL)-2H-TETRAZOLE HCL,
5-(azetidin-3-yl)-2h-tetrazole hydrochloride,
SCHEMBL1602059,
KS-000006HJ,
MFCD21647389,
AKOS025291137,
PB23101,
AS-42821,
5-(3-Azetidinyl)-2H-tetrazolehydrochloride,
CS-0050765,
Q-1885,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.593g/mol |
| Monoisotopic Mass | 161.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number