| CAS Number | 2095396-33-9 |
| Catalog Number | AG01E8U7 |
| Chemical Name | trans-4-Ethynylcyclohexanamine hydrochloride |
| IUPAC Name | 4-ethynylcyclohexan-1-amine;hydrochloride |
| InChI | InChI=1S/C8H13N.ClH/c1-2-7-3-5-8(9)6-4-7;/h1,7-8H,3-6,9H2;1H |
| InChI Key | QRUGZCIGKYCWIH-UHFFFAOYSA-N |
| MDL Number | MFCD29046545 |
| Molecular Formula | C8H14ClN |
| Molecular Weight | 159.6565 |
| SMILES | Cl.N[C@@H]1CC[C@@H](C#C)CC1 |
| Synonyms | 4-ethynylcyclohexan-1-amine hydrochloride,
1803593-39-6,
cis-4-ethynylcyclohexan-1-amine hydrochloride,
trans-4-ethynylcyclohexan-1-amine hydrochloride,
AKOS026746356,
2095396-33-9,
(1R,4r)-4-ethynylcyclohexan-1-amine hydrochloride,
F2147-2822,
N/A,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.657g/mol |
| Monoisotopic Mass | 159.081g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number