| CAS Number | 1638765-05-5 |
| Catalog Number | AG001UI4(AGN-PC-0WD7YO) |
| Chemical Name | Carbamic acid, N-[3-(aminomethyl)bicyclo[1.1.1]pent-1-yl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate |
| InChI | InChI=1S/C11H20N2O2/c1-9(2,3)15-8(14)13-11-4-10(5-11,6-11)7-12/h4-7,12H2,1-3H3,(H,13,14) |
| InChI Key | UFBJOKMOUWUJNE-UHFFFAOYSA-N |
| MDL Number | MFCD27987305 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | O=C(OC(C)(C)C)NC1(C2)CC2(CN)C1 |
| Synonyms | 1638765-05-5,
tert-butyl N-[3-(aminomethyl)bicyclo[1.1.1]pentan-1-yl]carbamate,
tert-butyl (3-(aminomethyl)bicyclo[1.1.1]pentan-1-yl)carbamate,
KS-000005OF,
MFCD27987305,
AKOS030238051,
ZINC238122504,
FCH2515882,
SB13294,
AS-53841,
OR312441,
CS-0047966,
t-Butyl N-[3-(aminomethyl)bicyclo[1.1.1]pentan-1-yl]carbamate,
tert-butylN-[3-(aminomethyl)bicyclo[1.1.1]pentan-1-yl]carbamate,
Carbamic acid, N-[3-(aminomethyl)bicyclo[1.1.1]pent-1-yl]-, 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