| CAS Number | 1030364-98-7 |
| Catalog Number | AG009865(AGN-PC-0WO89J) |
| Chemical Name | 4-(Aminomethyl)tetrahydro-2h-pyran-4-carboxamide |
| IUPAC Name | 4-(aminomethyl)oxane-4-carboxamide |
| InChI | InChI=1S/C7H14N2O2/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5,8H2,(H2,9,10) |
| InChI Key | XXPGVMATNNHWMS-UHFFFAOYSA-N |
| MDL Number | MFCD11099461 |
| Molecular Formula | C7H14N2O2 |
| Molecular Weight | 158.1983 |
| SMILES | NCC1(C(N)=O)CCOCC1 |
| Synonyms | 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxamide,
1030364-98-7,
4-(aminomethyl)oxane-4-carboxamide,
AC1Q53QF,
SCHEMBL8216989,
CTK7E3895,
XXPGVMATNNHWMS-UHFFFAOYSA-N,
MFCD11099461,
ZINC32627112,
AKOS009280876,
MCULE-7556510912,
NE49220,
AM806348,
CS-0036034,
FT-0763985,
EN300-36931,
AB00999503-01,
I05-2631,
Z381061488,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.201g/mol |
| Monoisotopic Mass | 158.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number