| CAS Number | 1630906-49-8 |
| Catalog Number | AG001TP4(AGN-PC-0WCXB1) |
| Chemical Name | Carbamic acid, N-[(3-aminobicyclo[1.1.1]pent-1-yl)methyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl]carbamate |
| InChI | InChI=1S/C11H20N2O2/c1-9(2,3)15-8(14)13-7-10-4-11(12,5-10)6-10/h4-7,12H2,1-3H3,(H,13,14) |
| InChI Key | TXIPPSCTYAERAQ-UHFFFAOYSA-N |
| MDL Number | MFCD27987306 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | O=C(OC(C)(C)C)NCC1(C2)CC2(N)C1 |
| Synonyms | 1630906-49-8,
tert-Butyl ((3-aminobicyclo[1.1.1]pentan-1-yl)methyl)carbamate,
tert-butyl N-({3-aminobicyclo[1.1.1]pentan-1-yl}methyl)carbamate,
KS-000026GC,
MFCD27987306,
AKOS025289763,
ZINC230569673,
GS-8017,
SB13295,
CS-0048094,
Z2755724059,
Carbamic acid, N-[(3-aminobicyclo[1.1.1]pent-1-yl)methyl]-, 1,1-dimethylethyl ester,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.293g/mol |
| Monoisotopic Mass | 212.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number