| CAS Number | 57101-60-7 |
| Catalog Number | AG00EGQK(AGN-PC-0OCHZZ) |
| Chemical Name | Bzl-His(Bzl)-OH |
| IUPAC Name | (2S)-2-(benzylamino)-3-(1-benzylimidazol-4-yl)propanoic acid |
| InChI | InChI=1S/C20H21N3O2/c24-20(25)19(21-12-16-7-3-1-4-8-16)11-18-14-23(15-22-18)13-17-9-5-2-6-10-17/h1-10,14-15,19,21H,11-13H2,(H,24,25)/t19-/m0/s1 |
| InChI Key | IUSLFTWXUDAXJI-IBGZPJMESA-N |
| MDL Number | MFCD18821892 |
| Molecular Formula | C20H21N3O2 |
| Molecular Weight | 335.3996 |
| SMILES | OC(=O)[C@H](Cc1ncn(c1)Cc1ccccc1)NCc1ccccc1 |
| Synonyms | BZL-HIS(BZL)-OH,
57101-60-7,
Nalpha-Benzyl-Nim-benzyl-L-histidine,
AC1ODV54,
SCHEMBL11036098,
CTK8G1602,
Na-Benzyl-Nim-benzyl-L-histidine,
ZINC2571363,
6489AH,
KM0069,
AKOS030240718,
N-alpha-Benzyl-N-im-benzyl-L-histidine,
FT-0640436,
(2S)-2-(benzylamino)-3-(1-benzylimidazol-4-yl)propanoic acid,
(S)-3-(1-benzyl-1H-imidazol-4-yl)-2-(benzylamino)propanoic acid,
BZL-HIS -OH,
C20H21N3O2,
MFCD00022422,
NSC331806,
CID7021343,
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| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.407g/mol |
| Monoisotopic Mass | 335.163g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number