| CAS Number | 195070-68-9 |
| Catalog Number | AG00B2IS(AGN-PC-0QNDSG) |
| Chemical Name | 1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI) |
| IUPAC Name | 2-amino-2-(1-methylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C6H9N3O2/c1-9-3-4(2-8-9)5(7)6(10)11/h2-3,5H,7H2,1H3,(H,10,11) |
| InChI Key | AVFMAEDZNWFUCD-UHFFFAOYSA-N |
| MDL Number | MFCD11155567 |
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| SMILES | O=C(O)C(N)C1=CN(C)N=C1 |
| Synonyms | 2-amino-2-(1-methyl-1H-pyrazol-4-yl)acetic acid,
195070-68-9,
Amino(1-methyl-1H-pyrazol-4-yl)acetic acid,
AC1Q3YSJ,
DTXSID60655712,
MFCD11155567,
AKOS000261427,
AKOS016904240,
MCULE-2913985038,
NE46751,
BS-12127,
EN300-61917,
1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI),
1H-Pyrazole-4-acetic acid, alpha-amino-1-methyl- (9CI),
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.157g/mol |
| Monoisotopic Mass | 155.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number