| CAS Number | 1393441-75-2 |
| Catalog Number | AG001AS4(AGN-PC-0WAF3C) |
| Chemical Name | t-Butyl trans-4-Aminocyclohexylmethylcarbamate HCl |
| IUPAC Name | tert-butyl N-[(4-aminocyclohexyl)methyl]carbamate;hydrochloride |
| InChI | InChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H |
| InChI Key | WYCYTOTYWLOWSV-UHFFFAOYSA-N |
| MDL Number | MFCD22383646 |
| Molecular Formula | C12H25ClN2O2 |
| Molecular Weight | 264.7921 |
| SMILES | Cl.CC(OC(NC[C@@H]1CC[C@@H](N)CC1)=O)(C)C |
| Synonyms | 1393441-75-2,
tert-Butyl (((1r,4r)-4-aminocyclohexyl)methyl)carbamate hydrochloride,
t-Butyl Trans-4-Aminocyclohexylmethylcarbamate HCl,
DTXSID70857023,
Z5643,
B-9473,
tert-Butyl [(4-aminocyclohexyl)methyl]carbamate--hydrogen chloride (1/1),
Carbamic acid, N-[(trans-4-aminocyclohexyl)methyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1),
C12H24N2O2.HCl,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.794g/mol |
| Monoisotopic Mass | 264.16g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^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-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number