| CAS Number | 369656-74-6 |
| Catalog Number | AG00C5JB(AGN-PC-0RD4MM) |
| Chemical Name | 2-(3,4-DIHYDROXYPHENYL)ETHYL-1-13C-AMINE-15N HCL |
| IUPAC Name | 4-(2-(15N)azanyl(213C)ethyl)benzene-1,2-diol;hydrochloride |
| InChI | InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i4+1,9+1; |
| InChI Key | CTENFNNZBMHDDG-FACGKWEASA-N |
| MDL Number | MFCD01074386 |
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 191.6254 |
| SMILES | C1=CC(=C(C=C1CCN)O)O.Cl |
| Synonyms | 2-(3,4-DIHYDROXYPHENYL)ETHYL-1-13C-AMINE-15N HCL,
MFCD01074386,
369656-74-6,
ACM369656746,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 2 |
| Molecular Weight | 191.624g/mol |
| Monoisotopic Mass | 191.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number