| CAS Number | 882660-42-6 |
| Catalog Number | AG019EMG(AGN-PC-0VKBQJ) |
| Chemical Name | trans-4-(4-(Cyclopropylmethyl)piperazin-1-yl)cyclohexanamine trihydrochloride |
| IUPAC Name | 4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;trihydrochloride |
| InChI | InChI=1S/C14H27N3.3ClH/c15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-1-2-12;;;/h12-14H,1-11,15H2;3*1H |
| InChI Key | UEFMMJAQQNBVTG-UHFFFAOYSA-N |
| MDL Number | MFCD13185107 |
| Molecular Formula | C14H30Cl3N3 |
| Molecular Weight | 346.7671 |
| SMILES | N[C@H]1CC[C@H](N2CCN(CC3CC3)CC2)CC1.[H]Cl.[H]Cl.[H]Cl |
| Synonyms | 882660-42-6,
trans-4-(4-(Cyclopropylmethyl)piperazin-1-yl)cyclohexanamine trihydrochloride,
trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexanamine trihydrochloride,
Cyclohexanamine,4-[4-(cyclopropylmethyl)-1-piperazinyl]-,trihydrochloride,trans-,
trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexanamine trihydrochloride,
BCP12452,
MFCD13185107,
AKOS027257186,
SB17643,
CS-0000961,
trans-4-(4-(Cyclopropylmethyl)piperazin-1-yl)cyclohexanamine 3HCl,
CyclohexanaMine, 4-[4-(cyclopropylMethyl)-1-piperazinyl]-, (Hydrochloride) (1:3), trans-,
trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]-cyclohexanamine trihydrochloride,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.765g/mol |
| Monoisotopic Mass | 345.151g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number