| CAS Number | 21938-23-8 |
| Catalog Number | AG00C38H(AGN-PC-00KYU3) |
| Chemical Name | 5,5-Diethoxypentan-1-amine |
| IUPAC Name | 5,5-diethoxypentan-1-amine |
| InChI | InChI=1S/C9H21NO2/c1-3-11-9(12-4-2)7-5-6-8-10/h9H,3-8,10H2,1-2H3 |
| InChI Key | RUNMJSMLSGFSBB-UHFFFAOYSA-N |
| MDL Number | MFCD18377868 |
| Molecular Formula | C9H21NO2 |
| Molecular Weight | 175.2685 |
| SMILES | NCCCCC(OCC)OCC |
| Synonyms | 5,5-Diethoxypentan-1-amine,
21938-23-8,
5-Aminopentanal Diethyl Acetal,
5,5-Diethoxy-1-pentanamine,
SCHEMBL3098432,
1-Pentanamine, 5,5-diethoxy-,
CTK0J6995,
DTXSID80519201,
5-Aminovaleraldehyde Diethyl Acetal,
ZINC39398689,
AKOS022172203,
ACM21938238,
AJ-100176,
AX8258807,
DB-024595,
FT-0661990,
J-014364,
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| Complexity | 82.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.272g/mol |
| Monoisotopic Mass | 175.157g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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