| CAS Number | 218938-66-0 |
| Catalog Number | AG00BC1W(AGN-PC-0QYEAN) |
| Chemical Name | Aspartic acid(otbu)-allyl ester hcl |
| IUPAC Name | 4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-aminobutanedioate;hydrochloride |
| InChI | InChI=1S/C11H19NO4.ClH/c1-5-6-15-10(14)8(12)7-9(13)16-11(2,3)4;/h5,8H,1,6-7,12H2,2-4H3;1H/t8-;/m0./s1 |
| InChI Key | NJRAKVZUBAZRJQ-QRPNPIFTSA-N |
| MDL Number | MFCD00798679 |
| Molecular Formula | C11H20ClNO4 |
| Molecular Weight | 265.7338 |
| SMILES | Cl.CC(C)(C)OC(=O)C[C@H](N)C(=O)OCC=C |
| Synonyms | 218938-66-0,
ASPARTIC ACID(OTBU)-ALLYL ESTER HCL,
H-Asp(OtBu)-allyl ester HCl,
C11H19NO4.HCl,
MFCD00798679,
ACM218938660,
V4401,
Aspartic acid(OtBu)-allyl ester hydrochloride,
K-6207,
L-Aspartic acid,4-(1,1-dimethylethyl)1-(2-propenyl)ester,hydrochloride(9ci),
ASPARTICACID -ALLYLESTERHCL,
H-Asp(OtBu)-allyl ester . HCl,
NJRAKVZUBAZRJQ-QRPNPIFTSA-N,
(S)-1-Allyl 4-tert-butyl 2-aminosuccinate hydrochloride,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.734g/mol |
| Monoisotopic Mass | 265.108g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 78.6A^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