| CAS Number | 152507-71-6 |
| Catalog Number | AG00APHR(AGN-PC-0O4CA9) |
| Chemical Name | (2R)-3-phenyl-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid; dicyclohexylamine |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C13H15NO4.C12H23N/c1-2-8-18-13(17)14-11(12(15)16)9-10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-7,11H,1,8-9H2,(H,14,17)(H,15,16);11-13H,1-10H2/t11-;/m1./s1 |
| InChI Key | BUWUDPXYWHZZKS-RFVHGSKJSA-N |
| MDL Number | MFCD03093483 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.2625 |
| SMILES | OC([C@H](NC(OCC=C)=O)CC1=CC=CC=C1)=O |
| Synonyms | Aloc-D-Phe-OH DCHA,
152507-71-6,
Allyloxycarbonyl-D-Phenylalanine dicyclohexylamine,
1217478-96-0,
(2R)-3-phenyl-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid; dicyclohexylamine,
C13H15NO4.C12H23N,
Dicyclohexylamine (R)-2-(((allyloxy)carbonyl)amino)-3-phenylpropanoate,
6129AH,
MFCD03093483,
AS-46831,
N-alpha-Allyloxycarbonyl-D-phenylalanine dicyclohexylamine,
BUWUDPXYWHZZKS-RFVHGSKJSA-N,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.589g/mol |
| Monoisotopic Mass | 430.283g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number