| CAS Number | 1221715-95-2 |
| Catalog Number | AG0016V9(AGN-PC-0WAGS6) |
| Chemical Name | 1H-Pyrazole, 1-(3-azetidinyl)-, hydrochloride (1:2) |
| IUPAC Name | 1-(azetidin-3-yl)pyrazole;dihydrochloride |
| InChI | InChI=1S/C6H9N3.2ClH/c1-2-8-9(3-1)6-4-7-5-6;;/h1-3,6-7H,4-5H2;2*1H |
| InChI Key | SOSRZTOMIOCRBU-UHFFFAOYSA-N |
| MDL Number | MFCD09864482 |
| Molecular Formula | C6H11Cl2N3 |
| Molecular Weight | 196.0776 |
| SMILES | [H]Cl.[H]Cl.N1(C2CNC2)N=CC=C1 |
| Synonyms | 1-(azetidin-3-yl)-1H-pyrazole dihydrochloride,
1221715-95-2,
1-(3-AZETIDINYL)-1H-PYRAZOLE DIHYDROCHLORIDE,
AC1Q3A4F,
SCHEMBL18556073,
MFCD09864482,
AKOS026743057,
MCULE-6683456362,
EN300-67158,
1H-Pyrazole, 1-(3-azetidinyl)-, hydrochloride (1:2),
1-azetidin-3-yl-1H-pyrazole dihydrochloride,
1107627-16-6,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.075g/mol |
| Monoisotopic Mass | 195.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number