| CAS Number | 158276-23-4 |
| Catalog Number | AG00ABDW(AGN-PC-0Q7GRV) |
| Chemical Name | H-Lys(nicotinoyl)-OH hcl |
| IUPAC Name | (2S)-2-amino-6-(pyridine-3-carbonylamino)hexanoic acid;hydrochloride |
| InChI | InChI=1S/C12H17N3O3.ClH/c13-10(12(17)18)5-1-2-7-15-11(16)9-4-3-6-14-8-9;/h3-4,6,8,10H,1-2,5,7,13H2,(H,15,16)(H,17,18);1H/t10-;/m0./s1 |
| InChI Key | CCWKVAIEPHOTKE-PPHPATTJSA-N |
| MDL Number | MFCD03093488 |
| Molecular Formula | C12H18ClN3O3 |
| Molecular Weight | 287.7426 |
| SMILES | Cl.NC(CCCCNC(=O)C1=CN=CC=C1)C(O)=O |
| Synonyms | H-LYS(NICOTINOYL)-OH HCL,
158276-23-4,
C12H17N3O3.HCl,
H-Lys(nicotinoyl)-OH . HCl,
H-Lys(nicotinoyl)-OH hydrochloride,
7199AH,
MFCD03093488,
AKOS015909026,
AS-46833,
K-4968,
I14-33043,
1899809-59-6,
(S)-2-Amino-6-(picolinamido)hexanoic acid,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.744g/mol |
| Monoisotopic Mass | 287.104g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number