| CAS Number | 1054481-55-8 |
| Catalog Number | AG00J135(AGN-PC-0WRALE) |
| Chemical Name | 4-(aminomethyl)-1,6-heptadien-4-ol hydrochloride |
| IUPAC Name | 4-(aminomethyl)hepta-1,6-dien-4-ol;hydrochloride |
| InChI | InChI=1S/C8H15NO.ClH/c1-3-5-8(10,7-9)6-4-2;/h3-4,10H,1-2,5-7,9H2;1H |
| InChI Key | PIINGDOPRJTUQV-UHFFFAOYSA-N |
| MDL Number | MFCD11096157 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | C(CN)(CC=C)(CC=C)O.Cl |
| Synonyms | 1054481-55-8,
4-(Aminomethyl)-1,6-heptadien-4-ol hydrochloride,
4-(AMINOMETHYL)HEPTA-1,6-DIEN-4-OL HYDROCHLORIDE,
ZX-CM002763,
MFCD11096157,
AKOS030630968,
4-(Aaminomethyl)-1,6-heptadien-4-ol hydrochloride,
4-(Aminomethyl)hepta-1,6-dien-4-ol hydrochloride, AldrichCPR,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.672g/mol |
| Monoisotopic Mass | 177.092g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number