| CAS Number | 25055-86-1 |
| Catalog Number | AG002QB0(AGN-PC-000TOS) |
| Chemical Name | 3H-Diazirine-3-propanoic acid, 3-methyl- |
| IUPAC Name | 3-(3-methyldiazirin-3-yl)propanoic acid |
| InChI | InChI=1S/C5H8N2O2/c1-5(6-7-5)3-2-4(8)9/h2-3H2,1H3,(H,8,9) |
| InChI Key | DSOGRJSLWCABBW-UHFFFAOYSA-N |
| MDL Number | MFCD19228230 |
| Molecular Formula | C5H8N2O2 |
| Molecular Weight | 128.1292 |
| SMILES | CC1(N=N1)CCC(=O)O |
| Synonyms | 3-(3-methyl-3H-diazirin-3-yl)propanoic acid,
25055-86-1,
3-Methyl-diazirine-3-propanoic Acid,
3-(3-Methyldiazirin-3-yl)propanoic acid,
4,4-azo-pentanoic acid,
SCHEMBL13756317,
DSOGRJSLWCABBW-UHFFFAOYSA-N,
MFCD19228230,
ZINC96031780,
AKOS006375435,
3-Methyl-3H-diazirine-3-propanoic acid,
3H-Diazirine-3-propanoic acid, 3-methyl-,
CS-0061126,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.131g/mol |
| Monoisotopic Mass | 128.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H315-H318-H332-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 1760
|
Certificate of Analysis
Lot Number