| CAS Number | 1609395-96-1 |
| Catalog Number | AG00J29B |
| Chemical Name | 4-(aminomethyl)-1,4-hexanediol acetate (salt) |
| IUPAC Name | acetic acid;4-(aminomethyl)hexane-1,4-diol |
| InChI | InChI=1S/C7H17NO2.C2H4O2/c1-2-7(10,6-8)4-3-5-9;1-2(3)4/h9-10H,2-6,8H2,1H3;1H3,(H,3,4) |
| InChI Key | YOCKHEYSUPFDBF-UHFFFAOYSA-N |
| MDL Number | MFCD28024696 |
| Molecular Formula | C9H21NO4 |
| Molecular Weight | 207.2673 |
| SMILES | C(C)(O)=O.C(CCCO)(CC)(CN)O |
| Synonyms | 4-(Aminomethyl)-1,4-hexanediol acetate (salt),
1609395-96-1,
ZX-CM008711,
MFCD28024696,
1214839-01-6,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.27g/mol |
| Monoisotopic Mass | 207.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number