| CAS Number | 1427380-67-3 |
| Catalog Number | AG01A3SW(AGN-PC-0WOU0X) |
| Chemical Name | 4-(Aminomethyl)cyclohexan-1-amine dihydrochloride |
| IUPAC Name | 4-(aminomethyl)cyclohexan-1-amine;dihydrochloride |
| InChI | InChI=1S/C7H16N2.2ClH/c8-5-6-1-3-7(9)4-2-6;;/h6-7H,1-5,8-9H2;2*1H |
| InChI Key | PKXPZFWIAPNNQM-UHFFFAOYSA-N |
| MDL Number | MFCD23144092 |
| Molecular Formula | C7H18Cl2N2 |
| Molecular Weight | 201.1372 |
| SMILES | Cl.Cl.NCC1CCC(N)CC1 |
| Synonyms | 1427380-67-3,
4-(aminomethyl)cyclohexan-1-amine dihydrochloride,
4-(Aminomethyl)cyclohexanamine dihydrochloride,
AKOS022186264,
NE31942,
4-(aminomethyl)cyclohexan-1-amine,dihydrochloride,
|
| Complexity | 75 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.135g/mol |
| Monoisotopic Mass | 200.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number