| CAS Number | 24716-89-0 |
| Catalog Number | AG00I4QJ(AGN-PC-0O87S4) |
| Chemical Name | trans-2-Aminomethyl-cyclohexylamine |
| IUPAC Name | (1R,2S)-2-(aminomethyl)cyclohexan-1-amine |
| InChI | InChI=1S/C7H16N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5,8-9H2/t6-,7+/m0/s1 |
| InChI Key | ZUYYQGFCSKJGDO-NKWVEPMBSA-N |
| MDL Number | MFCD06799044 |
| Molecular Formula | C7H16N2 |
| Molecular Weight | 128.2153 |
| SMILES | NC[C@@H]1CCCC[C@H]1N |
| Synonyms | trans-2-Aminomethyl-cyclohexylamine,
24716-89-0,
SCHEMBL9322177,
trans-2-Aminomethylcyclohexylamine,
AA116,
ZINC5843214,
MFCD06799044,
AKOS006287695,
trans-1-amino-2-aminomethylcyclohexane,
AB29959,
OR307559,
(1beta,2alpha)-2-Aminocyclohexanemethanamine,
T6463,
Cyclohexanemethanamine, 2-amino-, (1S-trans)-,
(1R,2S)-2-(AMINOMETHYL)CYCLOHEXAN-1-AMINE,
26685-87-0,
cis-2-amino-1-aminomethylcyclohexane,
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.219g/mol |
| Monoisotopic Mass | 128.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number