| CAS Number | 1217462-63-9 |
| Catalog Number | AG0015OK(AGN-PC-0WAFV0) |
| Chemical Name | N3-L-Val-OH (CHA) |
| IUPAC Name | (2S)-2-azido-3-methylbutanoic acid;cyclohexanamine |
| InChI | InChI=1S/C6H13N.C5H9N3O2/c7-6-4-2-1-3-5-6;1-3(2)4(5(9)10)7-8-6/h6H,1-5,7H2;3-4H,1-2H3,(H,9,10)/t;4-/m.0/s1 |
| InChI Key | YMXXCNHHCIMTCV-VWMHFEHESA-N |
| MDL Number | MFCD11223823 |
| Molecular Formula | C11H22N4O2 |
| Molecular Weight | 242.3180 |
| SMILES | NC1CCCCC1.[C@@H](C(=O)O)(C(C)C)N=[N+]=[N-] |
| Synonyms | 1217462-63-9,
D-azidovaline CHA salt,
N3-Val-OH CHA salt,
SCHEMBL17801988,
KS-00001G2Q,
L-Azidovaline cyclohexylammonium salt,
AKOS015940929,
CX66793,
(S)-2-Azido-3-methylbutyric acid cyclohexylammonium salt, >=98% (CE),
Butanoic acid, 2-azido-3-methyl-, compd. with cyclohexanamine (1:1), (2S)-,
(S)-2-Azido Isovaleric Acid Cyclohexylammonium Salt,
(S)-2-Azido-3-methylbutyric acid cyclohexylammonium salt,
2-Azido-3-methylbutanoic acid - cyclohexanamine (1:1),
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.323g/mol |
| Monoisotopic Mass | 242.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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