| CAS Number | 848178-47-2 |
| Catalog Number | AG00IDG8(AGN-PC-0WBPR0) |
| Chemical Name | 5-(chloromethyl)-1-propyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(chloromethyl)-1-propyltetrazole |
| InChI | InChI=1S/C5H9ClN4/c1-2-3-10-5(4-6)7-8-9-10/h2-4H2,1H3 |
| InChI Key | RDANDYOMPHAKPO-UHFFFAOYSA-N |
| MDL Number | MFCD07324837 |
| Molecular Formula | C5H9ClN4 |
| Molecular Weight | 160.6048 |
| SMILES | CCCN1C(CCl)=NN=N1 |
| Synonyms | 5-(chloromethyl)-1-propyl-1H-tetrazole,
848178-47-2,
5-(chloromethyl)-1-propyl-1H-1,2,3,4-tetrazole,
AC1NLR2R,
AC1Q2XZH,
SCHEMBL17507446,
CTK6E5157,
RDANDYOMPHAKPO-UHFFFAOYSA-N,
5-(chloromethyl)-1-propyltetrazole,
ZINC4207176,
KM2231,
MFCD07324837,
AKOS000118249,
MCULE-2740706719,
EN300-13934,
F8880-2041,
ZINC04207176,
CID4962740,
|
| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.605g/mol |
| Monoisotopic Mass | 160.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number