| CAS Number | 1803571-99-4 |
| Catalog Number | AG01BC8S |
| Chemical Name | 4-(Aminomethyl)benzaldehyde hydrochloride |
| IUPAC Name | 4-(aminomethyl)benzaldehyde;hydrochloride |
| InChI | InChI=1S/C8H9NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4,6H,5,9H2;1H |
| InChI Key | HKRVTTAGPORXSX-UHFFFAOYSA-N |
| MDL Number | MFCD06797830 |
| Molecular Formula | C8H10ClNO |
| Molecular Weight | 171.6241 |
| SMILES | Cl.NCC1=CC=C(C=O)C=C1 |
| Synonyms | 4-(aminomethyl)benzaldehyde hydrochloride,
1803571-99-4,
SCHEMBL19127658,
4-(AMINOMETHYL)BENZALDEHYDE HCL,
ACN-054570,
ACN-054571,
N/A,
186685-87-0,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.624g/mol |
| Monoisotopic Mass | 171.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number