| CAS Number | 115012-26-5 |
| Catalog Number | AG000FNG(AGN-PC-0161T3) |
| Chemical Name | 3-Amino-N-cyclohexylpropanamide |
| IUPAC Name | 3-amino-N-cyclohexylpropanamide |
| InChI | InChI=1S/C9H18N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12) |
| InChI Key | OHYOQNYNFIQCLU-UHFFFAOYSA-N |
| MDL Number | MFCD09726123 |
| Molecular Formula | C9H18N2O |
| Molecular Weight | 170.2520 |
| SMILES | NCCC(NC1CCCCC1)=O |
| Synonyms | 3-amino-N-cyclohexylpropanamide,
115012-26-5,
N-cyclohexyl-beta-alaninamide,
SCHEMBL19849412,
CTK7E7174,
N~1~-cyclohexyl-beta-alaninamide,
AC1Q5495,
Propanamide, 3-amino-N-cyclohexyl-,
STK497994,
ZINC11755115,
AKOS000141628,
MCULE-5369539484,
AJ-60044,
BB 0217116,
EN300-51026,
Y-5362,
J-003171,
Z927398482,
(S)-1-Isobutyrylpyrrolidine-2-carboxylic acid,
23500-15-4,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.256g/mol |
| Monoisotopic Mass | 170.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number