| CAS Number | 1218240-85-7 |
| Catalog Number | AG01FVM7(AGN-PC-3H60IE) |
| Chemical Name | 2-(dimethylamino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(dimethylamino)-2-(1-methylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C8H13N3O2/c1-10(2)7(8(12)13)6-4-9-11(3)5-6/h4-5,7H,1-3H3,(H,12,13) |
| InChI Key | NKPPQXINFWDOLG-UHFFFAOYSA-N |
| MDL Number | MFCD12064704 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | CN(C(c1cnn(c1)C)C(=O)O)C |
| Synonyms | 2-(Dimethylamino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid,
1218240-85-7,
KS-000023JX,
AKOS009987396,
BS-9722,
MCULE-9555521999,
(dimethylamino)(1-methyl-1H-pyrazol-4-yl)acetic acid,
Dimethylamino-(1-methyl-1H-pyrazol-4-yl)-acetic acid,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.100777g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.21g/mol |
| Monoisotopic Mass | 183.100777g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number