| CAS Number | 1401426-05-8 |
| Catalog Number | AG001C2K(AGN-PC-0WC99P) |
| Chemical Name | 1-(1-Methyl-1H-pyrazol-4-yl)cyclopropanamine dihydrochloride |
| IUPAC Name | 1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride |
| InChI | InChI=1S/C7H11N3.2ClH/c1-10-5-6(4-9-10)7(8)2-3-7;;/h4-5H,2-3,8H2,1H3;2*1H |
| InChI Key | RBKZBSUPIOHMAX-UHFFFAOYSA-N |
| MDL Number | MFCD20441460 |
| Molecular Formula | C7H13Cl2N3 |
| Molecular Weight | 210.1042 |
| SMILES | Cl.Cl.CN1N=CC(=C1)C1(CC1)N |
| Synonyms | 1401426-05-8,
1-(1-Methyl-1H-pyrazol-4-yl)cyclopropanamine dihydrochloride,
[1-(1-Methyl-1H-pyrazol-4-yl)cyclopropyl]-amine dihydrochloride,
1-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride,
1-(1-METHYL-1H-PYRAZOL-4-YL)CYCLOPROPAN-1-AMINE 2HCL,
[1-(1-methyl-1H-pyrazol-4-yl)cyclopropyl]amine dihydrochloride,
MFCD20441460,
AKOS030237546,
KS-0000053O,
AS-51472,
CS-0052925,
Cyclopropanamine, 1-(1-methyl-1H-pyrazol-4-yl)-, hydrochloride (1:2),
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.102g/mol |
| Monoisotopic Mass | 209.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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