| CAS Number | 1802048-96-9 |
| Catalog Number | AG0021SE(AGN-PC-0WNGXK) |
| Chemical Name | Carbamic acid, N-[3-(aminomethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[3-(aminomethyl)oxetan-3-yl]carbamate |
| InChI | InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4-10)5-13-6-9/h4-6,10H2,1-3H3,(H,11,12) |
| InChI Key | STTUTVYCMUOETH-UHFFFAOYSA-N |
| MDL Number | MFCD29042833 |
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.2508 |
| SMILES | N(C(=O)OC(C)(C)C)C1(CN)COC1 |
| Synonyms | 1802048-96-9,
tert-butyl N-[3-(aminomethyl)oxetan-3-yl]carbamate,
3-(Aminomethyl)-3-(Boc-amino)oxetane,
tert-Butyl (3-(aminomethyl)oxetan-3-yl)carbamate,
SCHEMBL16937121,
KS-000006DZ,
MFCD29042833,
AKOS030524833,
ZINC307652393,
SB22369,
AS-53875,
SY046490,
CS-0047965,
MFCD29042833 (95%),
t-Butyl N-[3-(aminomethyl)oxetan-3-yl]carbamate,
Carbamic acid, N-[3-(aminomethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester,
na,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.254g/mol |
| Monoisotopic Mass | 202.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number