| CAS Number | 1638767-25-5 |
| Catalog Number | AG001UI0(AGN-PC-0WAM8M) |
| Chemical Name | Carbamic acid, N-(3-aminobicyclo[1.1.1]pent-1-yl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate |
| InChI | InChI=1S/C10H18N2O2/c1-8(2,3)14-7(13)12-10-4-9(11,5-10)6-10/h4-6,11H2,1-3H3,(H,12,13) |
| InChI Key | WDWZFRPJPZEOBM-UHFFFAOYSA-N |
| MDL Number | MFCD27987307 |
| Molecular Formula | C10H18N2O2 |
| Molecular Weight | 198.2621 |
| SMILES | O=C(OC(C)(C)C)NC1(C2)CC2(N)C1 |
| Synonyms | 1638767-25-5,
tert-Butyl (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate,
tert-butyl N-{3-aminobicyclo[1.1.1]pentan-1-yl}carbamate,
AK171294,
SCHEMBL20243118,
KS-000005OG,
MFCD27987307,
AKOS025289764,
ZINC230569723,
FCH2514012,
GS-8016,
SB13296,
OR312435,
CS-0047522,
1-(Boc-amino)bicyclo[1.1.1]pentan-3-amine,
tert-butyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate,
Carbamic acid, N-(3-aminobicyclo[1.1.1]pent-1-yl)-, 1,1-dimethylethyl ester,
WDWZFRPJPZEOBM-UHFFFAOYSA-N,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.266g/mol |
| Monoisotopic Mass | 198.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number