| CAS Number | 933735-39-8 |
| Catalog Number | AG006G7I(AGN-PC-0566X3) |
| Chemical Name | 3-(2-Azabicyclo[2.2.1]heptan-2-yl)propanoic acid |
| IUPAC Name | 3-(2-azabicyclo[2.2.1]heptan-2-yl)propanoic acid |
| InChI | InChI=1S/C9H15NO2/c11-9(12)3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6H2,(H,11,12) |
| InChI Key | LHRODJLGQBVMHT-UHFFFAOYSA-N |
| MDL Number | MFCD14696661 |
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.2209 |
| SMILES | OC(=O)CCN1CC2CC1CC2 |
| Synonyms | 933735-39-8,
3-(2-Azabicyclo[2.2.1]heptan-2-yl)propanoic acid,
3-(2-azabicyclo[2.2.1]hept-2-yl)propanoic acid,
3-(3-azabicyclo[2.2.1]heptan-3-yl)propanoic acid,
2-AZABICYCLO[2.2.1]HEPTANE-2-PROPANOIC ACID,
CTK3I6344,
DTXSID80672522,
AKOS010824001,
MCULE-4468193962,
AN-26281,
BP-11011,
DB-031970,
2-Azabicyclo[2.2.1]heptane-2-propanoicacid,
FT-0729132,
Y-4027,
A844557,
I04-1415,
3-(2-AZA-BICYCLO[2.2.1]HEPTAN-2-YL)PROPANOIC ACID,
1212399-57-9,
ACN-039492,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.224g/mol |
| Monoisotopic Mass | 169.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
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