| CAS Number | 948015-51-8 |
| Catalog Number | AG00IIJP(AGN-PC-0WNNT1) |
| Chemical Name | 4-Aminomethyltetrahydropyran-4-Carboxylic Acid |
| IUPAC Name | 4-(aminomethyl)oxane-4-carboxylic acid |
| InChI | InChI=1S/C7H13NO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5,8H2,(H,9,10) |
| InChI Key | MOQXTRBNZFLFOF-UHFFFAOYSA-N |
| MDL Number | MFCD09800381 |
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.1830 |
| SMILES | NCC1(C(O)=O)CCOCC1 |
| Synonyms | 948015-51-8,
4-Aminomethyltetrahydropyran-4-carboxylic acid,
4-(Aminomethyl)tetrahydro-2H-pyran-4-carboxylic acid,
4-(aminomethyl)oxane-4-carboxylic Acid,
4-(Aminomethyl)oxane-4-carboxylic acid HCl,
SCHEMBL1971456,
DTXSID60432782,
MOQXTRBNZFLFOF-UHFFFAOYSA-N,
MFCD09800381,
ZINC16696838,
AKOS011494775,
AJ-69181,
AS-35855,
A-2565,
4-Aminomethyl-tetrahydro-pyran-4-carboxylic acid,
H112130,
F8881-5999,
4-(Aminomethyl)tetrahydro-2H-pyran-4-carboxylic acid-HCl,
CID9920449,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.185g/mol |
| Monoisotopic Mass | 159.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.3 |
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