| CAS Number | 5776-78-3 |
| Catalog Number | AG00ELGR(AGN-PC-0MTB9V) |
| Chemical Name | HEXANOICACID,6-[[6-[(6-AMINO-1-OXOHEXYL)AMINO]-1-OXOHEXYL]AMINO]- |
| IUPAC Name | 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic acid |
| InChI | InChI=1S/C18H35N3O4/c19-13-7-1-4-10-16(22)20-14-8-2-5-11-17(23)21-15-9-3-6-12-18(24)25/h1-15,19H2,(H,20,22)(H,21,23)(H,24,25) |
| InChI Key | JOIUZBTWMAYEQW-UHFFFAOYSA-N |
| MDL Number | MFCD28899021 |
| Molecular Formula | C18H35N3O4 |
| Molecular Weight | 357.4882 |
| SMILES | O=C(O)CCCCCNC(CCCCCNC(CCCCCN)=O)=O |
| Synonyms | 5776-78-3,
6-(6-(6-aminohexanamido)hexanamido)hexanoic acid,
Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-,
6-aminohexanoic acid trimer,
6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic Acid,
CTK1F1322,
DTXSID60429490,
MFCD28899021,
1H-IMIDAZO[4,5-C]QUINOLINE-1-PROPANAMINE, 4-AMINO-2-(ETHOXYMETHYL),
HEXANOICACID,6-[[6-[(6-AMINO-1-OXOHEXYL)AMINO]-1-OXOHEXYL]AMINO]-,
CID9543385,
823809-16-1,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.263g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.495g/mol |
| Monoisotopic Mass | 357.263g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number