| CAS Number | 42002-05-1 |
| Catalog Number | AG00CAWI(AGN-PC-0WAILY) |
| Chemical Name | boc-his-nhnh2 |
| IUPAC Name | tert-butyl N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate |
| InChI | InChI=1S/C11H19N5O3/c1-11(2,3)19-10(18)15-8(9(17)16-12)4-7-5-13-6-14-7/h5-6,8H,4,12H2,1-3H3,(H,13,14)(H,15,18)(H,16,17)/t8-/m0/s1 |
| InChI Key | IIAZPXGGUWPKRC-QMMMGPOBSA-N |
| MDL Number | MFCD00055954 |
| Molecular Formula | C11H19N5O3 |
| Molecular Weight | 269.3003 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NN |
| Synonyms | BOC-HIS-NHNH2,
42002-05-1,
Boc-His-NHNH,
C11H19N5O3,
(S)-tert-Butyl (1-hydrazinyl-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamate,
ZINC4531675,
6368AH,
MFCD00055954,
ACM42002051,
AS-49190,
K-8770,
EINECS 255-619-0,
ZINC02516131,
C11-H19-N5-O3,
CID7015698,
N-tert-(Butoxycarbonyl)-L-histidinohydrazide,
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.305g/mol |
| Monoisotopic Mass | 269.149g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number