| CAS Number | 2555-10-4 |
| Catalog Number | AG019WJ1(AGN-PC-00MVAK) |
| Chemical Name | 3-Cyclohexene-1-methanamine |
| IUPAC Name | cyclohex-3-en-1-ylmethanamine |
| InChI | InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6,8H2 |
| InChI Key | DNTZUCRLOISRPR-UHFFFAOYSA-N |
| MDL Number | MFCD11156902 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | NCC1CC=CCC1 |
| Synonyms | cyclohex-3-en-1-ylmethanamine,
3-Cyclohexene-1-methanamine,
2555-10-4,
(3-cyclohexen-1-yl)methylamine,
3-cyclohexenylmethylamine,
cyclohex-3-enylmethylamine,
4-(Aminomethyl)-cyclohexen,
SCHEMBL510007,
AC1Q546G,
CTK7E5197,
DNTZUCRLOISRPR-UHFFFAOYSA-N,
AKOS008110157,
MCULE-9374023591,
NE15021,
EN300-52141,
|
| Complexity | 86.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number