| CAS Number | 1391026-59-7 |
| Catalog Number | AG01B179(AGN-PC-0WOC9H) |
| Chemical Name | tert-butyl N-(1-bromopropan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(1-bromopropan-2-yl)carbamate |
| InChI | InChI=1S/C8H16BrNO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11) |
| InChI Key | OTOODTHBNJYOIV-UHFFFAOYSA-N |
| MDL Number | MFCD24167884 |
| Molecular Formula | C8H16BrNO2 |
| Molecular Weight | 238.1221 |
| SMILES | O=C(OC(C)(C)C)NC(C)CBr |
| Synonyms | tert-butyl (1-bromopropan-2-yl)carbamate,
1391026-59-7,
tert-butyl N-(1-bromopropan-2-yl)carbamate,
SCHEMBL1393407,
OTOODTHBNJYOIV-UHFFFAOYSA-N,
MFCD24167884,
AKOS026730029,
NE45157,
t-Butyl (1-bromopropan-2-yl)carbamate,
AK328591,
AS-35818,
ACN-054882,
tert-butyl (S)-(1-bromopropan-2-yl)carbamate,
263410-21-5,
tert-butyl (1-bromopropan-2-yl)carbamate;Carbamic acid, N-?(2-?bromo-?1-?methylethyl)?-?, 1,?1-?dimethylethyl ester,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.125g/mol |
| Monoisotopic Mass | 237.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number